benzyl N-[(2S)-1-[[(2S)-1-[[(1E,2S)-1-(1-acetyl-2-oxopyrrolidin-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-3-(tert-butylcarbamoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-3-(2,2-dimethylpropanoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-3-(2,2-dimethylpropanoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-3-en-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hept-3-en-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;tert-butyl (3S)-2-methyl-4-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate;tert-butyl (3S)-4-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-3-en-2-yl]amino]pentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate;methyl (2S)-2-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate

C323H477N47O79 — CID 157165522

IUPACbenzyl N-[(2S)-1-[[(2S)-1-[[(1E,2S)-1-(1-acetyl-2-oxopyrrolidin-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-3-(tert-butylcarbamoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-3-(2,2-dimethylpropanoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-3-(2,2-dimethylpropanoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-3-en-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hept-3-en-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;tert-butyl (3S)-2-methyl-4-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate;tert-butyl (3S)-4-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-3-en-2-yl]amino]pentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate;methyl (2S)-2-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
SMILESCC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1.CC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CNC(=O)C(C)(C)C)NC(=O)OCc1ccccc1.CC(=O)N1CC/C(=C\[C@H](C[C@@H]2CCNC2=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)OC(C)(C)C)C1=O.CC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C.CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C(=O)OC(C)(C)C)C(=O)N[C@H](/C=C1\CCOC1=O)C[C@@H]1CCNC1=O.CC(C)C[C@H](NC(=O)[C@H](CNC(=O)C(C)(C)C)NC(=O)OCc1ccccc1)C(=O)N[C@H](/C=C1\CCOC1=O)C[C@@H]1CCNC1=O.CC(C)C[C@H](NC(=O)[C@H](CNC(=O)NC(C)(C)C)NC(=O)OCc1ccccc1)C(=O)N[C@H](/C=C1\CCOC1=O)C[C@@H]1CCNC1=O.CCC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C.COC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C.CON(C)C(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1
InChIInChI=1S/C35H51N5O8.C34H48N4O9.C33H48N6O8.C33H47N5O8.C33H50N4O7.C32H47N5O7.C32H46N4O8.C31H48N6O9.C30H46N4O8.C30H46N4O7/c1-21(2)17-28(31(43)37-27(18-25-13-15-36-30(25)42)19-26-14-16-40(23(4)41)33(26)45)38-32(44)29(22(3)48-35(5,6)7)39-34(46)47-20-24-11-9-8-10-12-24;1-20(2)16-26(29(40)36-25(17-23-12-14-35-28(23)39)18-24-13-15-45-32(24)43)37-30(41)27(21(3)31(42)47-34(4,5)6)38-33(44)46-19-22-10-8-7-9-11-22;1-20(2)15-25(28(41)36-24(16-22-11-13-34-27(22)40)17-23-12-14-46-30(23)43)37-29(42)26(18-35-31(44)39-33(3,4)5)38-32(45)47-19-21-9-7-6-8-10-21;1-20(2)15-25(28(40)36-24(16-22-11-13-34-27(22)39)17-23-12-14-45-30(23)42)37-29(41)26(18-35-31(43)33(3,4)5)38-32(44)46-19-21-9-7-6-8-10-21;1-8-26(38)15-14-25(19-24-16-17-34-29(24)39)35-30(40)27(18-21(2)3)36-31(41)28(22(4)44-33(5,6)7)37-32(42)43-20-23-12-10-9-11-13-23;1-20(2)16-25(28(40)35-24(13-12-21(3)38)17-23-14-15-33-27(23)39)36-29(41)26(18-34-30(42)32(4,5)6)37-31(43)44-19-22-10-8-7-9-11-22;1-20(2)16-25(29(40)34-24(13-12-21(3)37)17-23-14-15-33-28(23)39)35-30(41)26(18-27(38)44-32(4,5)6)36-31(42)43-19-22-10-8-7-9-11-22;1-19(2)15-22(26(39)35-23(28(41)37(6)44-7)16-21-13-14-32-25(21)38)34-27(40)24(17-33-29(42)46-31(3,4)5)36-30(43)45-18-20-11-9-8-10-12-20;1-18(2)15-22(26(36)33-23(28(38)40-7)16-21-13-14-31-25(21)35)32-27(37)24(19(3)42-30(4,5)6)34-29(39)41-17-20-11-9-8-10-12-20;1-18(2)15-24(27(37)32-23(19(3)35)16-22-13-14-31-26(22)36)33-28(38)25(20(4)41-30(5,6)7)34-29(39)40-17-21-11-9-8-10-12-21/h8-12,19,21-22,25,27-29H,13-18,20H2,1-7H3,(H,36,42)(H,37,43)(H,38,44)(H,39,46);7-11,18,20-21,23,25-27H,12-17,19H2,1-6H3,(H,35,39)(H,36,40)(H,37,41)(H,38,44);6-10,17,20,22,24-26H,11-16,18-19H2,1-5H3,(H,34,40)(H,36,41)(H,37,42)(H,38,45)(H2,35,39,44);6-10,17,20,22,24-26H,11-16,18-19H2,1-5H3,(H,34,39)(H,35,43)(H,36,40)(H,37,41)(H,38,44);9-15,21-22,24-25,27-28H,8,16-20H2,1-7H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42);7-13,20,23-26H,14-19H2,1-6H3,(H,33,39)(H,34,42)(H,35,40)(H,36,41)(H,37,43);7-13,20,23-26H,14-19H2,1-6H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42);8-12,19,21-24H,13-18H2,1-7H3,(H,32,38)(H,33,42)(H,34,40)(H,35,39)(H,36,43);8-12,18-19,21-24H,13-17H2,1-7H3,(H,31,35)(H,32,37)(H,33,36)(H,34,39);8-12,18,20,22-25H,13-17H2,1-7H3,(H,31,36)(H,32,37)(H,33,38)(H,34,39)/b26-19+;24-18+;2*23-17+;15-14+;2*13-12+;;;/t22?,25-,27-,28-,29-;21?,23-,25-,26-,27-;2*22-,24-,25-,26-;22?,24-,25+,27-,28-;2*23-,24+,25-,26-;21-,22-,23-,24-;19?,21-,22-,23-,24-;20?,22-,23-,24-,25-/m0000000000/s1
InChIKeyAMWBWVVSJUEHDE-HSQFCRNQSA-N
MW6282.62 g/mol
LogP23.64
Rot. Bonds145

About benzyl N-[(2S)-1-[[(2S)-1-[[(1E,2S)-1-(1-acetyl-2-oxopyrrolidin-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-3-(tert-butylcarbamoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-3-(2,2-dimethylpropanoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-3-(2,2-dimethylpropanoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-3-en-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hept-3-en-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;tert-butyl (3S)-2-methyl-4-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate;tert-butyl (3S)-4-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-3-en-2-yl]amino]pentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate;methyl (2S)-2-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate

benzyl N-[(2S)-1-[[(2S)-1-[[(1E,2S)-1-(1-acetyl-2-oxopyrrolidin-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-3-(tert-butylcarbamoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-3-(2,2-dimethylpropanoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-3-(2,2-dimethylpropanoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-3-en-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hept-3-en-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;tert-butyl (3S)-2-methyl-4-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate;tert-butyl (3S)-4-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-3-en-2-yl]amino]pentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate;methyl (2S)-2-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate (PubChem CID 157165522) has the molecular formula C323H477N47O79 and a molecular weight of 6282.62 g/mol. Its IUPAC name is benzyl N-[(2S)-1-[[(2S)-1-[[(1E,2S)-1-(1-acetyl-2-oxopyrrolidin-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-3-(tert-butylcarbamoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-3-(2,2-dimethylpropanoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-3-(2,2-dimethylpropanoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-3-en-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hept-3-en-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;tert-butyl (3S)-2-methyl-4-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate;tert-butyl (3S)-4-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-3-en-2-yl]amino]pentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate;methyl (2S)-2-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-[[(2S)-1-[[(1E,2S)-1-(1-acetyl-2-oxopyrrolidin-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-3-(tert-butylcarbamoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-3-(2,2-dimethylpropanoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-3-(2,2-dimethylpropanoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-3-en-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hept-3-en-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;tert-butyl (3S)-2-methyl-4-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate;tert-butyl (3S)-4-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-3-en-2-yl]amino]pentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate;methyl (2S)-2-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
PubChem CID157165522
Molecular FormulaC323H477N47O79
Molecular Weight6282.62 g/mol
Exact Mass6278.48
IUPAC Namebenzyl N-[(2S)-1-[[(2S)-1-[[(1E,2S)-1-(1-acetyl-2-oxopyrrolidin-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-3-(tert-butylcarbamoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-3-(2,2-dimethylpropanoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-3-(2,2-dimethylpropanoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-3-en-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hept-3-en-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;tert-butyl (3S)-2-methyl-4-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate;tert-butyl (3S)-4-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-3-en-2-yl]amino]pentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate;methyl (2S)-2-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
SMILESCC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1.CC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CNC(=O)C(C)(C)C)NC(=O)OCc1ccccc1.CC(=O)N1CC/C(=C\[C@H](C[C@@H]2CCNC2=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)OC(C)(C)C)C1=O.CC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C.CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C(=O)OC(C)(C)C)C(=O)N[C@H](/C=C1\CCOC1=O)C[C@@H]1CCNC1=O.CC(C)C[C@H](NC(=O)[C@H](CNC(=O)C(C)(C)C)NC(=O)OCc1ccccc1)C(=O)N[C@H](/C=C1\CCOC1=O)C[C@@H]1CCNC1=O.CC(C)C[C@H](NC(=O)[C@H](CNC(=O)NC(C)(C)C)NC(=O)OCc1ccccc1)C(=O)N[C@H](/C=C1\CCOC1=O)C[C@@H]1CCNC1=O.CCC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C.COC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C.CON(C)C(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1
InChIInChI=1S/C35H51N5O8.C34H48N4O9.C33H48N6O8.C33H47N5O8.C33H50N4O7.C32H47N5O7.C32H46N4O8.C31H48N6O9.C30H46N4O8.C30H46N4O7/c1-21(2)17-28(31(43)37-27(18-25-13-15-36-30(25)42)19-26-14-16-40(23(4)41)33(26)45)38-32(44)29(22(3)48-35(5,6)7)39-34(46)47-20-24-11-9-8-10-12-24;1-20(2)16-26(29(40)36-25(17-23-12-14-35-28(23)39)18-24-13-15-45-32(24)43)37-30(41)27(21(3)31(42)47-34(4,5)6)38-33(44)46-19-22-10-8-7-9-11-22;1-20(2)15-25(28(41)36-24(16-22-11-13-34-27(22)40)17-23-12-14-46-30(23)43)37-29(42)26(18-35-31(44)39-33(3,4)5)38-32(45)47-19-21-9-7-6-8-10-21;1-20(2)15-25(28(40)36-24(16-22-11-13-34-27(22)39)17-23-12-14-45-30(23)42)37-29(41)26(18-35-31(43)33(3,4)5)38-32(44)46-19-21-9-7-6-8-10-21;1-8-26(38)15-14-25(19-24-16-17-34-29(24)39)35-30(40)27(18-21(2)3)36-31(41)28(22(4)44-33(5,6)7)37-32(42)43-20-23-12-10-9-11-13-23;1-20(2)16-25(28(40)35-24(13-12-21(3)38)17-23-14-15-33-27(23)39)36-29(41)26(18-34-30(42)32(4,5)6)37-31(43)44-19-22-10-8-7-9-11-22;1-20(2)16-25(29(40)34-24(13-12-21(3)37)17-23-14-15-33-28(23)39)35-30(41)26(18-27(38)44-32(4,5)6)36-31(42)43-19-22-10-8-7-9-11-22;1-19(2)15-22(26(39)35-23(28(41)37(6)44-7)16-21-13-14-32-25(21)38)34-27(40)24(17-33-29(42)46-31(3,4)5)36-30(43)45-18-20-11-9-8-10-12-20;1-18(2)15-22(26(36)33-23(28(38)40-7)16-21-13-14-31-25(21)35)32-27(37)24(19(3)42-30(4,5)6)34-29(39)41-17-20-11-9-8-10-12-20;1-18(2)15-24(27(37)32-23(19(3)35)16-22-13-14-31-26(22)36)33-28(38)25(20(4)41-30(5,6)7)34-29(39)40-17-21-11-9-8-10-12-21/h8-12,19,21-22,25,27-29H,13-18,20H2,1-7H3,(H,36,42)(H,37,43)(H,38,44)(H,39,46);7-11,18,20-21,23,25-27H,12-17,19H2,1-6H3,(H,35,39)(H,36,40)(H,37,41)(H,38,44);6-10,17,20,22,24-26H,11-16,18-19H2,1-5H3,(H,34,40)(H,36,41)(H,37,42)(H,38,45)(H2,35,39,44);6-10,17,20,22,24-26H,11-16,18-19H2,1-5H3,(H,34,39)(H,35,43)(H,36,40)(H,37,41)(H,38,44);9-15,21-22,24-25,27-28H,8,16-20H2,1-7H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42);7-13,20,23-26H,14-19H2,1-6H3,(H,33,39)(H,34,42)(H,35,40)(H,36,41)(H,37,43);7-13,20,23-26H,14-19H2,1-6H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42);8-12,19,21-24H,13-18H2,1-7H3,(H,32,38)(H,33,42)(H,34,40)(H,35,39)(H,36,43);8-12,18-19,21-24H,13-17H2,1-7H3,(H,31,35)(H,32,37)(H,33,36)(H,34,39);8-12,18,20,22-25H,13-17H2,1-7H3,(H,31,36)(H,32,37)(H,33,38)(H,34,39)/b26-19+;24-18+;2*23-17+;15-14+;2*13-12+;;;/t22?,25-,27-,28-,29-;21?,23-,25-,26-,27-;2*22-,24-,25-,26-;22?,24-,25+,27-,28-;2*23-,24+,25-,26-;21-,22-,23-,24-;19?,21-,22-,23-,24-;20?,22-,23-,24-,25-/m0000000000/s1
InChIKeyAMWBWVVSJUEHDE-HSQFCRNQSA-N
XLogP23.64
TPSA1723.88 Ų
H-Bond Donors45
H-Bond Acceptors79
Rotatable Bonds145
Heavy Atoms449
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006282.62
LogP ≤ 523.64
H-Bond Donors ≤ 545
H-Bond Acceptors ≤ 1079

Analyze benzyl N-[(2S)-1-[[(2S)-1-[[(1E,2S)-1-(1-acetyl-2-oxopyrrolidin-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-3-(tert-butylcarbamoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-3-(2,2-dimethylpropanoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-3-(2,2-dimethylpropanoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-3-en-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hept-3-en-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;tert-butyl (3S)-2-methyl-4-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate;tert-butyl (3S)-4-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-3-en-2-yl]amino]pentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate;methyl (2S)-2-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate with MolForge

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What is the IUPAC name of benzyl N-[(2S)-1-[[(2S)-1-[[(1E,2S)-1-(1-acetyl-2-oxopyrrolidin-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-3-(tert-butylcarbamoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-3-(2,2-dimethylpropanoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-3-(2,2-dimethylpropanoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-3-en-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hept-3-en-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;tert-butyl (3S)-2-methyl-4-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate;tert-butyl (3S)-4-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-3-en-2-yl]amino]pentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate;methyl (2S)-2-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate?
The IUPAC name of benzyl N-[(2S)-1-[[(2S)-1-[[(1E,2S)-1-(1-acetyl-2-oxopyrrolidin-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-3-(tert-butylcarbamoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-3-(2,2-dimethylpropanoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-3-(2,2-dimethylpropanoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-3-en-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hept-3-en-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;tert-butyl (3S)-2-methyl-4-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate;tert-butyl (3S)-4-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-3-en-2-yl]amino]pentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate;methyl (2S)-2-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate (CID 157165522) is benzyl N-[(2S)-1-[[(2S)-1-[[(1E,2S)-1-(1-acetyl-2-oxopyrrolidin-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-3-(tert-butylcarbamoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-3-(2,2-dimethylpropanoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-3-(2,2-dimethylpropanoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-3-en-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hept-3-en-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;tert-butyl (3S)-2-methyl-4-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate;tert-butyl (3S)-4-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-3-en-2-yl]amino]pentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate;methyl (2S)-2-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate.
What is the SMILES notation for benzyl N-[(2S)-1-[[(2S)-1-[[(1E,2S)-1-(1-acetyl-2-oxopyrrolidin-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-3-(tert-butylcarbamoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-3-(2,2-dimethylpropanoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-3-(2,2-dimethylpropanoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-3-en-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hept-3-en-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;tert-butyl (3S)-2-methyl-4-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate;tert-butyl (3S)-4-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-3-en-2-yl]amino]pentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate;methyl (2S)-2-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate?
The canonical SMILES for benzyl N-[(2S)-1-[[(2S)-1-[[(1E,2S)-1-(1-acetyl-2-oxopyrrolidin-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-3-(tert-butylcarbamoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-3-(2,2-dimethylpropanoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-3-(2,2-dimethylpropanoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-3-en-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hept-3-en-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;tert-butyl (3S)-2-methyl-4-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate;tert-butyl (3S)-4-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-3-en-2-yl]amino]pentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate;methyl (2S)-2-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate is CC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1.CC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CNC(=O)C(C)(C)C)NC(=O)OCc1ccccc1.CC(=O)N1CC/C(=C\[C@H](C[C@@H]2CCNC2=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)OC(C)(C)C)C1=O.CC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C.CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C(=O)OC(C)(C)C)C(=O)N[C@H](/C=C1\CCOC1=O)C[C@@H]1CCNC1=O.CC(C)C[C@H](NC(=O)[C@H](CNC(=O)C(C)(C)C)NC(=O)OCc1ccccc1)C(=O)N[C@H](/C=C1\CCOC1=O)C[C@@H]1CCNC1=O.CC(C)C[C@H](NC(=O)[C@H](CNC(=O)NC(C)(C)C)NC(=O)OCc1ccccc1)C(=O)N[C@H](/C=C1\CCOC1=O)C[C@@H]1CCNC1=O.CCC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C.COC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C.CON(C)C(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-1-[[(2S)-1-[[(1E,2S)-1-(1-acetyl-2-oxopyrrolidin-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-3-(tert-butylcarbamoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-3-(2,2-dimethylpropanoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-3-(2,2-dimethylpropanoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-3-en-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hept-3-en-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;tert-butyl (3S)-2-methyl-4-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate;tert-butyl (3S)-4-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-3-en-2-yl]amino]pentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate;methyl (2S)-2-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate?
The InChIKey is AMWBWVVSJUEHDE-HSQFCRNQSA-N. The full InChI is InChI=1S/C35H51N5O8.C34H48N4O9.C33H48N6O8.C33H47N5O8.C33H50N4O7.C32H47N5O7.C32H46N4O8.C31H48N6O9.C30H46N4O8.C30H46N4O7/c1-21(2)17-28(31(43)37-27(18-25-13-15-36-30(25)42)19-26-14-16-40(23(4)41)33(26)45)38-32(44)29(22(3)48-35(5,6)7)39-34(46)47-20-24-11-9-8-10-12-24;1-20(2)16-26(29(40)36-25(17-23-12-14-35-28(23)39)18-24-13-15-45-32(24)43)37-30(41)27(21(3)31(42)47-34(4,5)6)38-33(44)46-19-22-10-8-7-9-11-22;1-20(2)15-25(28(41)36-24(16-22-11-13-34-27(22)40)17-23-12-14-46-30(23)43)37-29(42)26(18-35-31(44)39-33(3,4)5)38-32(45)47-19-21-9-7-6-8-10-21;1-20(2)15-25(28(40)36-24(16-22-11-13-34-27(22)39)17-23-12-14-45-30(23)42)37-29(41)26(18-35-31(43)33(3,4)5)38-32(44)46-19-21-9-7-6-8-10-21;1-8-26(38)15-14-25(19-24-16-17-34-29(24)39)35-30(40)27(18-21(2)3)36-31(41)28(22(4)44-33(5,6)7)37-32(42)43-20-23-12-10-9-11-13-23;1-20(2)16-25(28(40)35-24(13-12-21(3)38)17-23-14-15-33-27(23)39)36-29(41)26(18-34-30(42)32(4,5)6)37-31(43)44-19-22-10-8-7-9-11-22;1-20(2)16-25(29(40)34-24(13-12-21(3)37)17-23-14-15-33-28(23)39)35-30(41)26(18-27(38)44-32(4,5)6)36-31(42)43-19-22-10-8-7-9-11-22;1-19(2)15-22(26(39)35-23(28(41)37(6)44-7)16-21-13-14-32-25(21)38)34-27(40)24(17-33-29(42)46-31(3,4)5)36-30(43)45-18-20-11-9-8-10-12-20;1-18(2)15-22(26(36)33-23(28(38)40-7)16-21-13-14-31-25(21)35)32-27(37)24(19(3)42-30(4,5)6)34-29(39)41-17-20-11-9-8-10-12-20;1-18(2)15-24(27(37)32-23(19(3)35)16-22-13-14-31-26(22)36)33-28(38)25(20(4)41-30(5,6)7)34-29(39)40-17-21-11-9-8-10-12-21/h8-12,19,21-22,25,27-29H,13-18,20H2,1-7H3,(H,36,42)(H,37,43)(H,38,44)(H,39,46);7-11,18,20-21,23,25-27H,12-17,19H2,1-6H3,(H,35,39)(H,36,40)(H,37,41)(H,38,44);6-10,17,20,22,24-26H,11-16,18-19H2,1-5H3,(H,34,40)(H,36,41)(H,37,42)(H,38,45)(H2,35,39,44);6-10,17,20,22,24-26H,11-16,18-19H2,1-5H3,(H,34,39)(H,35,43)(H,36,40)(H,37,41)(H,38,44);9-15,21-22,24-25,27-28H,8,16-20H2,1-7H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42);7-13,20,23-26H,14-19H2,1-6H3,(H,33,39)(H,34,42)(H,35,40)(H,36,41)(H,37,43);7-13,20,23-26H,14-19H2,1-6H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42);8-12,19,21-24H,13-18H2,1-7H3,(H,32,38)(H,33,42)(H,34,40)(H,35,39)(H,36,43);8-12,18-19,21-24H,13-17H2,1-7H3,(H,31,35)(H,32,37)(H,33,36)(H,34,39);8-12,18,20,22-25H,13-17H2,1-7H3,(H,31,36)(H,32,37)(H,33,38)(H,34,39)/b26-19+;24-18+;2*23-17+;15-14+;2*13-12+;;;/t22?,25-,27-,28-,29-;21?,23-,25-,26-,27-;2*22-,24-,25-,26-;22?,24-,25+,27-,28-;2*23-,24+,25-,26-;21-,22-,23-,24-;19?,21-,22-,23-,24-;20?,22-,23-,24-,25-/m0000000000/s1.
What are the key properties of benzyl N-[(2S)-1-[[(2S)-1-[[(1E,2S)-1-(1-acetyl-2-oxopyrrolidin-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-3-(tert-butylcarbamoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-3-(2,2-dimethylpropanoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-3-(2,2-dimethylpropanoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-3-en-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hept-3-en-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;tert-butyl (3S)-2-methyl-4-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate;tert-butyl (3S)-4-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-3-en-2-yl]amino]pentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate;methyl (2S)-2-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate?
benzyl N-[(2S)-1-[[(2S)-1-[[(1E,2S)-1-(1-acetyl-2-oxopyrrolidin-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-3-(tert-butylcarbamoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-3-(2,2-dimethylpropanoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-3-(2,2-dimethylpropanoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-3-en-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hept-3-en-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;tert-butyl (3S)-2-methyl-4-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate;tert-butyl (3S)-4-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-3-en-2-yl]amino]pentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate;methyl (2S)-2-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate has a molecular weight of 6282.62 g/mol, XLogP of 23.64, 145 rotatable bonds, 45 hydrogen bond donors, and 79 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-[[(2S)-1-[[(1E,2S)-1-(1-acetyl-2-oxopyrrolidin-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-3-(tert-butylcarbamoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-3-(2,2-dimethylpropanoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-3-(2,2-dimethylpropanoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-3-en-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hept-3-en-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;tert-butyl (3S)-2-methyl-4-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate;tert-butyl (3S)-4-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-3-en-2-yl]amino]pentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate;methyl (2S)-2-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate is sourced from PubChem (CID 157165522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).