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-(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)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxocyclopentylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-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-[[(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]hex-3-en-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-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;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;[(3S)-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)butan-2-yl] 2,2-dimethylpropanoate

C257H380N34O61 — CID 158070560

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-(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)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxocyclopentylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-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-[[(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]hex-3-en-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-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;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;[(3S)-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)butan-2-yl] 2,2-dimethylpropanoate
SMILESCC(=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.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)OC(=O)C(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](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C)C(=O)N[C@H](/C=C1\CCCC1=O)C[C@@H]1CCNC1=O.CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C)C(=O)N[C@H](C=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.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
InChIInChI=1S/C35H51N5O8.C34H48N4O9.C34H50N4O7.C33H47N5O8.C32H48N4O7.C30H46N4O8.C30H46N4O7.C29H44N4O7/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)18-24-13-15-45-31(24)42)37-30(41)27(21(3)47-32(43)34(4,5)6)38-33(44)46-19-22-10-8-7-9-11-22;1-21(2)17-27(31(41)36-26(18-24-13-10-14-28(24)39)19-25-15-16-35-30(25)40)37-32(42)29(22(3)45-34(4,5)6)38-33(43)44-20-23-11-8-7-9-12-23;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;1-20(2)17-26(29(39)34-25(14-13-21(3)37)18-24-15-16-33-28(24)38)35-30(40)27(22(4)43-32(5,6)7)36-31(41)42-19-23-11-9-8-10-12-23;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;1-18(2)14-23(26(36)31-22(16-34)15-21-12-13-30-25(21)35)32-27(37)24(19(3)40-29(4,5)6)33-28(38)39-17-20-10-8-7-9-11-20/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);7-9,11-12,18,21-22,25-27,29H,10,13-17,19-20H2,1-6H3,(H,35,40)(H,36,41)(H,37,42)(H,38,43);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);8-14,20,22,24-27H,15-19H2,1-7H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41);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);7-11,16,18-19,21-24H,12-15,17H2,1-6H3,(H,30,35)(H,31,36)(H,32,37)(H,33,38)/b26-19+;2*24-18+;23-17+;14-13+;;;/t22?,25-,27-,28-,29-;21?,23-,25-,26-,27-;22?,25-,26+,27-,29-;22-,24-,25-,26-;22?,24-,25+,26-,27-;19?,21-,22-,23-,24-;20?,22-,23-,24-,25-;19?,21-,22-,23-,24-/m00000000/s1
InChIKeyFLTRCWBTNSBJIG-KZWFNPSMSA-N
MW4922.04 g/mol
LogP21.19
Rot. Bonds113

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-(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)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxocyclopentylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-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-[[(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]hex-3-en-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-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;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;[(3S)-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)butan-2-yl] 2,2-dimethylpropanoate

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-(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)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxocyclopentylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-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-[[(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]hex-3-en-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-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;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;[(3S)-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)butan-2-yl] 2,2-dimethylpropanoate (PubChem CID 158070560) has the molecular formula C257H380N34O61 and a molecular weight of 4922.04 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-(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)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxocyclopentylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-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-[[(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]hex-3-en-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-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;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;[(3S)-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)butan-2-yl] 2,2-dimethylpropanoate.

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-(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)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxocyclopentylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-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-[[(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]hex-3-en-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-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;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;[(3S)-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)butan-2-yl] 2,2-dimethylpropanoate
PubChem CID158070560
Molecular FormulaC257H380N34O61
Molecular Weight4922.04 g/mol
Exact Mass4918.77
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-(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)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxocyclopentylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-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-[[(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]hex-3-en-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-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;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;[(3S)-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)butan-2-yl] 2,2-dimethylpropanoate
SMILESCC(=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.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)OC(=O)C(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](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C)C(=O)N[C@H](/C=C1\CCCC1=O)C[C@@H]1CCNC1=O.CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C)C(=O)N[C@H](C=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.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
InChIInChI=1S/C35H51N5O8.C34H48N4O9.C34H50N4O7.C33H47N5O8.C32H48N4O7.C30H46N4O8.C30H46N4O7.C29H44N4O7/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)18-24-13-15-45-31(24)42)37-30(41)27(21(3)47-32(43)34(4,5)6)38-33(44)46-19-22-10-8-7-9-11-22;1-21(2)17-27(31(41)36-26(18-24-13-10-14-28(24)39)19-25-15-16-35-30(25)40)37-32(42)29(22(3)45-34(4,5)6)38-33(43)44-20-23-11-8-7-9-12-23;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;1-20(2)17-26(29(39)34-25(14-13-21(3)37)18-24-15-16-33-28(24)38)35-30(40)27(22(4)43-32(5,6)7)36-31(41)42-19-23-11-9-8-10-12-23;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;1-18(2)14-23(26(36)31-22(16-34)15-21-12-13-30-25(21)35)32-27(37)24(19(3)40-29(4,5)6)33-28(38)39-17-20-10-8-7-9-11-20/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);7-9,11-12,18,21-22,25-27,29H,10,13-17,19-20H2,1-6H3,(H,35,40)(H,36,41)(H,37,42)(H,38,43);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);8-14,20,22,24-27H,15-19H2,1-7H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41);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);7-11,16,18-19,21-24H,12-15,17H2,1-6H3,(H,30,35)(H,31,36)(H,32,37)(H,33,38)/b26-19+;2*24-18+;23-17+;14-13+;;;/t22?,25-,27-,28-,29-;21?,23-,25-,26-,27-;22?,25-,26+,27-,29-;22-,24-,25-,26-;22?,24-,25+,26-,27-;19?,21-,22-,23-,24-;20?,22-,23-,24-,25-;19?,21-,22-,23-,24-/m00000000/s1
InChIKeyFLTRCWBTNSBJIG-KZWFNPSMSA-N
XLogP21.19
TPSA1300.38 Ų
H-Bond Donors33
H-Bond Acceptors61
Rotatable Bonds113
Heavy Atoms352
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004922.04
LogP ≤ 521.19
H-Bond Donors ≤ 533
H-Bond Acceptors ≤ 1061

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-(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)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxocyclopentylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-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-[[(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]hex-3-en-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-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;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;[(3S)-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)butan-2-yl] 2,2-dimethylpropanoate with MolForge

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Frequently Asked Questions

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-(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)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxocyclopentylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-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-[[(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]hex-3-en-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-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;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;[(3S)-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)butan-2-yl] 2,2-dimethylpropanoate?
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-(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)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxocyclopentylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-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-[[(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]hex-3-en-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-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;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;[(3S)-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)butan-2-yl] 2,2-dimethylpropanoate (CID 158070560) 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-(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)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxocyclopentylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-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-[[(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]hex-3-en-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-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;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;[(3S)-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)butan-2-yl] 2,2-dimethylpropanoate.
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-(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)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxocyclopentylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-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-[[(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]hex-3-en-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-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;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;[(3S)-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)butan-2-yl] 2,2-dimethylpropanoate?
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-(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)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxocyclopentylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-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-[[(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]hex-3-en-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-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;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;[(3S)-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)butan-2-yl] 2,2-dimethylpropanoate is CC(=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.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)OC(=O)C(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](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C)C(=O)N[C@H](/C=C1\CCCC1=O)C[C@@H]1CCNC1=O.CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C)C(=O)N[C@H](C=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.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.
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-(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)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxocyclopentylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-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-[[(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]hex-3-en-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-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;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;[(3S)-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)butan-2-yl] 2,2-dimethylpropanoate?
The InChIKey is FLTRCWBTNSBJIG-KZWFNPSMSA-N. The full InChI is InChI=1S/C35H51N5O8.C34H48N4O9.C34H50N4O7.C33H47N5O8.C32H48N4O7.C30H46N4O8.C30H46N4O7.C29H44N4O7/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)18-24-13-15-45-31(24)42)37-30(41)27(21(3)47-32(43)34(4,5)6)38-33(44)46-19-22-10-8-7-9-11-22;1-21(2)17-27(31(41)36-26(18-24-13-10-14-28(24)39)19-25-15-16-35-30(25)40)37-32(42)29(22(3)45-34(4,5)6)38-33(43)44-20-23-11-8-7-9-12-23;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;1-20(2)17-26(29(39)34-25(14-13-21(3)37)18-24-15-16-33-28(24)38)35-30(40)27(22(4)43-32(5,6)7)36-31(41)42-19-23-11-9-8-10-12-23;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;1-18(2)14-23(26(36)31-22(16-34)15-21-12-13-30-25(21)35)32-27(37)24(19(3)40-29(4,5)6)33-28(38)39-17-20-10-8-7-9-11-20/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);7-9,11-12,18,21-22,25-27,29H,10,13-17,19-20H2,1-6H3,(H,35,40)(H,36,41)(H,37,42)(H,38,43);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);8-14,20,22,24-27H,15-19H2,1-7H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41);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);7-11,16,18-19,21-24H,12-15,17H2,1-6H3,(H,30,35)(H,31,36)(H,32,37)(H,33,38)/b26-19+;2*24-18+;23-17+;14-13+;;;/t22?,25-,27-,28-,29-;21?,23-,25-,26-,27-;22?,25-,26+,27-,29-;22-,24-,25-,26-;22?,24-,25+,26-,27-;19?,21-,22-,23-,24-;20?,22-,23-,24-,25-;19?,21-,22-,23-,24-/m00000000/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-(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)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxocyclopentylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-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-[[(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]hex-3-en-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-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;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;[(3S)-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)butan-2-yl] 2,2-dimethylpropanoate?
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-(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)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxocyclopentylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-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-[[(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]hex-3-en-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-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;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;[(3S)-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)butan-2-yl] 2,2-dimethylpropanoate has a molecular weight of 4922.04 g/mol, XLogP of 21.19, 113 rotatable bonds, 33 hydrogen bond donors, and 61 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-(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)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxocyclopentylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-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-[[(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]hex-3-en-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-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;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;[(3S)-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)butan-2-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 158070560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).