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

C320H474N42O74 — CID 158239062

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)-1-[[(2S)-4-methyl-1-[[(E,2S)-4-methyl-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-4-en-2-yl]amino]-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-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]-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)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-4-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;[(3S)-4-[[(2S)-1-[[(E,2S)-4-cyano-1-(2-oxopyrrolidin-3-yl)but-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butan-2-yl] 2,2-dimethylpropanoate;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-oxocyclopentylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butan-2-yl] 2,2-dimethylpropanoate
SMILESC/C=C(\C)C(=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.C=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(=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=C/C#N)CC1CCNC1=O.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\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=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=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.C35H50N4O8.C33H48N4O8.C33H50N4O7.C32H45N5O7.C32H48N4O7.C31H46N4O7.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;1-21(2)17-27(31(42)37-26(18-24-13-10-14-28(24)40)19-25-15-16-36-30(25)41)38-32(43)29(22(3)47-33(44)35(4,5)6)39-34(45)46-20-23-11-8-7-9-12-23;1-20(2)16-26(29(39)35-25(17-23-12-14-34-28(23)38)18-24-13-15-43-31(24)41)36-30(40)27(21(3)45-33(4,5)6)37-32(42)44-19-22-10-8-7-9-11-22;1-9-21(4)28(38)25(18-24-15-16-34-29(24)39)35-30(40)26(17-20(2)3)36-31(41)27(22(5)44-33(6,7)8)37-32(42)43-19-23-13-11-10-12-14-23;1-20(2)17-25(28(39)35-24(13-10-15-33)18-23-14-16-34-27(23)38)36-29(40)26(21(3)44-30(41)32(4,5)6)37-31(42)43-19-22-11-8-7-9-12-22;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;1-8-25(36)23(17-22-14-15-32-27(22)37)33-28(38)24(16-19(2)3)34-29(39)26(20(4)42-31(5,6)7)35-30(40)41-18-21-12-10-9-11-13-21;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);7-9,11-12,18,21-22,25-27,29H,10,13-17,19-20H2,1-6H3,(H,36,41)(H,37,42)(H,38,43)(H,39,45);7-11,18,20-21,23,25-27H,12-17,19H2,1-6H3,(H,34,38)(H,35,39)(H,36,40)(H,37,42);9-14,20,22,24-27H,15-19H2,1-8H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42);7-13,20-21,23-26H,14,16-19H2,1-6H3,(H,34,38)(H,35,39)(H,36,40)(H,37,42);8-14,20,22,24-27H,15-19H2,1-7H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41);8-13,19-20,22-24,26H,1,14-18H2,2-7H3,(H,32,37)(H,33,38)(H,34,39)(H,35,40);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+;21-9+;13-10+;14-13+;;;;/t22?,25-,27-,28-,29-;22?,25-,26+,27-,29-;21?,23-,25-,26-,27-;22?,24-,25-,26-,27-;21?,23?,24-,25+,26+;22?,24-,25+,26-,27-;20?,22-,23-,24-,26-;19?,21-,22-,23-,24-;20?,22-,23-,24-,25-;19?,21-,22-,23-,24-/m0000100000/s1
InChIKeyGFIAKOPVZFMTLW-HKGQMBDCSA-N
MW6093.53 g/mol
LogP28.55
Rot. Bonds143

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)-1-[[(2S)-4-methyl-1-[[(E,2S)-4-methyl-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-4-en-2-yl]amino]-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-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]-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)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-4-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;[(3S)-4-[[(2S)-1-[[(E,2S)-4-cyano-1-(2-oxopyrrolidin-3-yl)but-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butan-2-yl] 2,2-dimethylpropanoate;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-oxocyclopentylidene)-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)-1-[[(2S)-4-methyl-1-[[(E,2S)-4-methyl-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-4-en-2-yl]amino]-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-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]-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)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-4-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;[(3S)-4-[[(2S)-1-[[(E,2S)-4-cyano-1-(2-oxopyrrolidin-3-yl)but-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butan-2-yl] 2,2-dimethylpropanoate;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-oxocyclopentylidene)-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 158239062) has the molecular formula C320H474N42O74 and a molecular weight of 6093.53 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)-1-[[(2S)-4-methyl-1-[[(E,2S)-4-methyl-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-4-en-2-yl]amino]-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-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]-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)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-4-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;[(3S)-4-[[(2S)-1-[[(E,2S)-4-cyano-1-(2-oxopyrrolidin-3-yl)but-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butan-2-yl] 2,2-dimethylpropanoate;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-oxocyclopentylidene)-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)-1-[[(2S)-4-methyl-1-[[(E,2S)-4-methyl-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-4-en-2-yl]amino]-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-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]-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)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-4-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;[(3S)-4-[[(2S)-1-[[(E,2S)-4-cyano-1-(2-oxopyrrolidin-3-yl)but-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butan-2-yl] 2,2-dimethylpropanoate;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-oxocyclopentylidene)-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 CID158239062
Molecular FormulaC320H474N42O74
Molecular Weight6093.53 g/mol
Exact Mass6089.46
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)-1-[[(2S)-4-methyl-1-[[(E,2S)-4-methyl-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-4-en-2-yl]amino]-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-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]-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)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-4-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;[(3S)-4-[[(2S)-1-[[(E,2S)-4-cyano-1-(2-oxopyrrolidin-3-yl)but-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butan-2-yl] 2,2-dimethylpropanoate;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-oxocyclopentylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butan-2-yl] 2,2-dimethylpropanoate
SMILESC/C=C(\C)C(=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.C=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(=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=C/C#N)CC1CCNC1=O.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\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=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=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.C35H50N4O8.C33H48N4O8.C33H50N4O7.C32H45N5O7.C32H48N4O7.C31H46N4O7.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;1-21(2)17-27(31(42)37-26(18-24-13-10-14-28(24)40)19-25-15-16-36-30(25)41)38-32(43)29(22(3)47-33(44)35(4,5)6)39-34(45)46-20-23-11-8-7-9-12-23;1-20(2)16-26(29(39)35-25(17-23-12-14-34-28(23)38)18-24-13-15-43-31(24)41)36-30(40)27(21(3)45-33(4,5)6)37-32(42)44-19-22-10-8-7-9-11-22;1-9-21(4)28(38)25(18-24-15-16-34-29(24)39)35-30(40)26(17-20(2)3)36-31(41)27(22(5)44-33(6,7)8)37-32(42)43-19-23-13-11-10-12-14-23;1-20(2)17-25(28(39)35-24(13-10-15-33)18-23-14-16-34-27(23)38)36-29(40)26(21(3)44-30(41)32(4,5)6)37-31(42)43-19-22-11-8-7-9-12-22;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;1-8-25(36)23(17-22-14-15-32-27(22)37)33-28(38)24(16-19(2)3)34-29(39)26(20(4)42-31(5,6)7)35-30(40)41-18-21-12-10-9-11-13-21;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);7-9,11-12,18,21-22,25-27,29H,10,13-17,19-20H2,1-6H3,(H,36,41)(H,37,42)(H,38,43)(H,39,45);7-11,18,20-21,23,25-27H,12-17,19H2,1-6H3,(H,34,38)(H,35,39)(H,36,40)(H,37,42);9-14,20,22,24-27H,15-19H2,1-8H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42);7-13,20-21,23-26H,14,16-19H2,1-6H3,(H,34,38)(H,35,39)(H,36,40)(H,37,42);8-14,20,22,24-27H,15-19H2,1-7H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41);8-13,19-20,22-24,26H,1,14-18H2,2-7H3,(H,32,37)(H,33,38)(H,34,39)(H,35,40);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+;21-9+;13-10+;14-13+;;;;/t22?,25-,27-,28-,29-;22?,25-,26+,27-,29-;21?,23-,25-,26-,27-;22?,24-,25-,26-,27-;21?,23?,24-,25+,26+;22?,24-,25+,26-,27-;20?,22-,23-,24-,26-;19?,21-,22-,23-,24-;20?,22-,23-,24-,25-;19?,21-,22-,23-,24-/m0000100000/s1
InChIKeyGFIAKOPVZFMTLW-HKGQMBDCSA-N
XLogP28.55
TPSA1598.93 Ų
H-Bond Donors40
H-Bond Acceptors75
Rotatable Bonds143
Heavy Atoms436
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006093.53
LogP ≤ 528.55
H-Bond Donors ≤ 540
H-Bond Acceptors ≤ 1075

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)-1-[[(2S)-4-methyl-1-[[(E,2S)-4-methyl-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-4-en-2-yl]amino]-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-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]-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)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-4-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;[(3S)-4-[[(2S)-1-[[(E,2S)-4-cyano-1-(2-oxopyrrolidin-3-yl)but-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butan-2-yl] 2,2-dimethylpropanoate;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-oxocyclopentylidene)-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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)-1-[[(2S)-4-methyl-1-[[(E,2S)-4-methyl-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-4-en-2-yl]amino]-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-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]-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)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-4-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;[(3S)-4-[[(2S)-1-[[(E,2S)-4-cyano-1-(2-oxopyrrolidin-3-yl)but-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butan-2-yl] 2,2-dimethylpropanoate;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-oxocyclopentylidene)-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)-1-[[(2S)-4-methyl-1-[[(E,2S)-4-methyl-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-4-en-2-yl]amino]-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-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]-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)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-4-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;[(3S)-4-[[(2S)-1-[[(E,2S)-4-cyano-1-(2-oxopyrrolidin-3-yl)but-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butan-2-yl] 2,2-dimethylpropanoate;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-oxocyclopentylidene)-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 158239062) 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)-1-[[(2S)-4-methyl-1-[[(E,2S)-4-methyl-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-4-en-2-yl]amino]-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-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]-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)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-4-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;[(3S)-4-[[(2S)-1-[[(E,2S)-4-cyano-1-(2-oxopyrrolidin-3-yl)but-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butan-2-yl] 2,2-dimethylpropanoate;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-oxocyclopentylidene)-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)-1-[[(2S)-4-methyl-1-[[(E,2S)-4-methyl-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-4-en-2-yl]amino]-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-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]-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)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-4-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;[(3S)-4-[[(2S)-1-[[(E,2S)-4-cyano-1-(2-oxopyrrolidin-3-yl)but-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butan-2-yl] 2,2-dimethylpropanoate;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-oxocyclopentylidene)-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)-1-[[(2S)-4-methyl-1-[[(E,2S)-4-methyl-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-4-en-2-yl]amino]-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-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]-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)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-4-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;[(3S)-4-[[(2S)-1-[[(E,2S)-4-cyano-1-(2-oxopyrrolidin-3-yl)but-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butan-2-yl] 2,2-dimethylpropanoate;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-oxocyclopentylidene)-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 C/C=C(\C)C(=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.C=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(=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=C/C#N)CC1CCNC1=O.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\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=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=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)-1-[[(2S)-4-methyl-1-[[(E,2S)-4-methyl-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-4-en-2-yl]amino]-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-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]-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)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-4-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;[(3S)-4-[[(2S)-1-[[(E,2S)-4-cyano-1-(2-oxopyrrolidin-3-yl)but-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butan-2-yl] 2,2-dimethylpropanoate;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-oxocyclopentylidene)-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 GFIAKOPVZFMTLW-HKGQMBDCSA-N. The full InChI is InChI=1S/C35H51N5O8.C35H50N4O8.C33H48N4O8.C33H50N4O7.C32H45N5O7.C32H48N4O7.C31H46N4O7.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;1-21(2)17-27(31(42)37-26(18-24-13-10-14-28(24)40)19-25-15-16-36-30(25)41)38-32(43)29(22(3)47-33(44)35(4,5)6)39-34(45)46-20-23-11-8-7-9-12-23;1-20(2)16-26(29(39)35-25(17-23-12-14-34-28(23)38)18-24-13-15-43-31(24)41)36-30(40)27(21(3)45-33(4,5)6)37-32(42)44-19-22-10-8-7-9-11-22;1-9-21(4)28(38)25(18-24-15-16-34-29(24)39)35-30(40)26(17-20(2)3)36-31(41)27(22(5)44-33(6,7)8)37-32(42)43-19-23-13-11-10-12-14-23;1-20(2)17-25(28(39)35-24(13-10-15-33)18-23-14-16-34-27(23)38)36-29(40)26(21(3)44-30(41)32(4,5)6)37-31(42)43-19-22-11-8-7-9-12-22;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;1-8-25(36)23(17-22-14-15-32-27(22)37)33-28(38)24(16-19(2)3)34-29(39)26(20(4)42-31(5,6)7)35-30(40)41-18-21-12-10-9-11-13-21;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);7-9,11-12,18,21-22,25-27,29H,10,13-17,19-20H2,1-6H3,(H,36,41)(H,37,42)(H,38,43)(H,39,45);7-11,18,20-21,23,25-27H,12-17,19H2,1-6H3,(H,34,38)(H,35,39)(H,36,40)(H,37,42);9-14,20,22,24-27H,15-19H2,1-8H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42);7-13,20-21,23-26H,14,16-19H2,1-6H3,(H,34,38)(H,35,39)(H,36,40)(H,37,42);8-14,20,22,24-27H,15-19H2,1-7H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41);8-13,19-20,22-24,26H,1,14-18H2,2-7H3,(H,32,37)(H,33,38)(H,34,39)(H,35,40);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+;21-9+;13-10+;14-13+;;;;/t22?,25-,27-,28-,29-;22?,25-,26+,27-,29-;21?,23-,25-,26-,27-;22?,24-,25-,26-,27-;21?,23?,24-,25+,26+;22?,24-,25+,26-,27-;20?,22-,23-,24-,26-;19?,21-,22-,23-,24-;20?,22-,23-,24-,25-;19?,21-,22-,23-,24-/m0000100000/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)-1-[[(2S)-4-methyl-1-[[(E,2S)-4-methyl-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-4-en-2-yl]amino]-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-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]-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)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-4-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;[(3S)-4-[[(2S)-1-[[(E,2S)-4-cyano-1-(2-oxopyrrolidin-3-yl)but-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butan-2-yl] 2,2-dimethylpropanoate;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-oxocyclopentylidene)-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)-1-[[(2S)-4-methyl-1-[[(E,2S)-4-methyl-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-4-en-2-yl]amino]-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-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]-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)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-4-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;[(3S)-4-[[(2S)-1-[[(E,2S)-4-cyano-1-(2-oxopyrrolidin-3-yl)but-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butan-2-yl] 2,2-dimethylpropanoate;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-oxocyclopentylidene)-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 6093.53 g/mol, XLogP of 28.55, 143 rotatable bonds, 40 hydrogen bond donors, and 75 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)-1-[[(2S)-4-methyl-1-[[(E,2S)-4-methyl-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-4-en-2-yl]amino]-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-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]-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)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-4-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;[(3S)-4-[[(2S)-1-[[(E,2S)-4-cyano-1-(2-oxopyrrolidin-3-yl)but-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butan-2-yl] 2,2-dimethylpropanoate;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-oxocyclopentylidene)-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 158239062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).