benzyl N-[(2S)-1-[[(2S)-1-[[(E,2S)-4-cyano-1-(2-oxopyrrolidin-3-yl)but-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(benzylsulfonylamino)-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-3-(2,2-dimethylpropanoyloxy)-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(prop-2-enoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[2-oxo-3-(phenylmethoxycarbonylamino)azepan-1-yl]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate;(E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoic acid;propan-2-yl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate

C222H335N29O54S — CID 160534216

IUPACbenzyl N-[(2S)-1-[[(2S)-1-[[(E,2S)-4-cyano-1-(2-oxopyrrolidin-3-yl)but-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(benzylsulfonylamino)-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-3-(2,2-dimethylpropanoyloxy)-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(prop-2-enoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[2-oxo-3-(phenylmethoxycarbonylamino)azepan-1-yl]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate;(E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoic acid;propan-2-yl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate
SMILESC=CCOC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](/C=C/C(=O)OCC)C[C@@H]1CCNC1=O)C(C)OC(C)(C)C.CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(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(C)(C)C)C(=O)N[C@H](/C=C/C(=O)O)CC1CCNC1=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=C/C(=O)OC(C)C)CC1CCNC1=O.CCOC(=O)/C=C/[C@H](CC1CCNC1=O)NC(=O)[C@H](CC(C)C)N1CCCCC(NC(=O)OCc2ccccc2)C1=O.CCOC(=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(=O)C(C)(C)C.CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NS(=O)(=O)Cc1ccccc1)C(C)OC(C)(C)C
InChIInChI=1S/C34H50N4O9.C34H52N4O8.C32H50N4O8S.C31H45N5O6.C31H46N4O8.C31H44N4O7.C29H48N4O8/c1-8-45-27(39)15-14-25(19-24-16-17-35-29(24)40)36-30(41)26(18-21(2)3)37-31(42)28(22(4)47-32(43)34(5,6)7)38-33(44)46-20-23-12-10-9-11-13-23;1-21(2)18-27(31(41)36-26(14-15-28(39)45-22(3)4)19-25-16-17-35-30(25)40)37-32(42)29(23(5)46-34(6,7)8)38-33(43)44-20-24-12-10-9-11-13-24;1-8-43-27(37)15-14-25(19-24-16-17-33-29(24)38)34-30(39)26(18-21(2)3)35-31(40)28(22(4)44-32(5,6)7)36-45(41,42)20-23-12-10-9-11-13-23;1-20(2)17-25(28(38)34-24(13-10-15-32)18-23-14-16-33-27(23)37)35-29(39)26(21(3)42-31(4,5)6)36-30(40)41-19-22-11-8-7-9-12-22;1-19(2)16-24(28(39)33-23(12-13-25(36)37)17-22-14-15-32-27(22)38)34-29(40)26(20(3)43-31(4,5)6)35-30(41)42-18-21-10-8-7-9-11-21;1-4-41-27(36)14-13-24(19-23-15-16-32-28(23)37)33-29(38)26(18-21(2)3)35-17-9-8-12-25(30(35)39)34-31(40)42-20-22-10-6-5-7-11-22;1-9-15-40-28(38)33-24(19(5)41-29(6,7)8)27(37)32-22(16-18(3)4)26(36)31-21(11-12-23(34)39-10-2)17-20-13-14-30-25(20)35/h9-15,21-22,24-26,28H,8,16-20H2,1-7H3,(H,35,40)(H,36,41)(H,37,42)(H,38,44);9-15,21-23,25-27,29H,16-20H2,1-8H3,(H,35,40)(H,36,41)(H,37,42)(H,38,43);9-15,21-22,24-26,28,36H,8,16-20H2,1-7H3,(H,33,38)(H,34,39)(H,35,40);7-13,20-21,23-26H,14,16-19H2,1-6H3,(H,33,37)(H,34,38)(H,35,39)(H,36,40);7-13,19-20,22-24,26H,14-18H2,1-6H3,(H,32,38)(H,33,39)(H,34,40)(H,35,41)(H,36,37);5-7,10-11,13-14,21,23-26H,4,8-9,12,15-20H2,1-3H3,(H,32,37)(H,33,38)(H,34,40);9,11-12,18-22,24H,1,10,13-17H2,2-8H3,(H,30,35)(H,31,36)(H,32,37)(H,33,38)/b3*15-14+;13-10+;13-12+;14-13+;12-11+/t22?,24-,25+,26-,28-;23?,25?,26-,27+,29+;22?,24-,25+,26-,28-;21?,23?,24-,25+,26+;20?,22?,23-,24+,26+;23?,24-,25?,26+;19?,20-,21+,22-,24-/m0101110/s1
InChIKeyQVYBNJHKMGKNTB-RYVCGUTASA-N
MW4306.34 g/mol
LogP19.54
Rot. Bonds107

About benzyl N-[(2S)-1-[[(2S)-1-[[(E,2S)-4-cyano-1-(2-oxopyrrolidin-3-yl)but-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(benzylsulfonylamino)-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-3-(2,2-dimethylpropanoyloxy)-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(prop-2-enoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[2-oxo-3-(phenylmethoxycarbonylamino)azepan-1-yl]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate;(E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoic acid;propan-2-yl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate

benzyl N-[(2S)-1-[[(2S)-1-[[(E,2S)-4-cyano-1-(2-oxopyrrolidin-3-yl)but-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(benzylsulfonylamino)-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-3-(2,2-dimethylpropanoyloxy)-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(prop-2-enoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[2-oxo-3-(phenylmethoxycarbonylamino)azepan-1-yl]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate;(E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoic acid;propan-2-yl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate (PubChem CID 160534216) has the molecular formula C222H335N29O54S and a molecular weight of 4306.34 g/mol. Its IUPAC name is benzyl N-[(2S)-1-[[(2S)-1-[[(E,2S)-4-cyano-1-(2-oxopyrrolidin-3-yl)but-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(benzylsulfonylamino)-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-3-(2,2-dimethylpropanoyloxy)-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(prop-2-enoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[2-oxo-3-(phenylmethoxycarbonylamino)azepan-1-yl]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate;(E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoic acid;propan-2-yl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-[[(2S)-1-[[(E,2S)-4-cyano-1-(2-oxopyrrolidin-3-yl)but-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(benzylsulfonylamino)-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-3-(2,2-dimethylpropanoyloxy)-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(prop-2-enoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[2-oxo-3-(phenylmethoxycarbonylamino)azepan-1-yl]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate;(E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoic acid;propan-2-yl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate
PubChem CID160534216
Molecular FormulaC222H335N29O54S
Molecular Weight4306.34 g/mol
Exact Mass4303.41
IUPAC Namebenzyl N-[(2S)-1-[[(2S)-1-[[(E,2S)-4-cyano-1-(2-oxopyrrolidin-3-yl)but-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(benzylsulfonylamino)-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-3-(2,2-dimethylpropanoyloxy)-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(prop-2-enoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[2-oxo-3-(phenylmethoxycarbonylamino)azepan-1-yl]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate;(E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoic acid;propan-2-yl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate
SMILESC=CCOC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](/C=C/C(=O)OCC)C[C@@H]1CCNC1=O)C(C)OC(C)(C)C.CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(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(C)(C)C)C(=O)N[C@H](/C=C/C(=O)O)CC1CCNC1=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=C/C(=O)OC(C)C)CC1CCNC1=O.CCOC(=O)/C=C/[C@H](CC1CCNC1=O)NC(=O)[C@H](CC(C)C)N1CCCCC(NC(=O)OCc2ccccc2)C1=O.CCOC(=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(=O)C(C)(C)C.CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NS(=O)(=O)Cc1ccccc1)C(C)OC(C)(C)C
InChIInChI=1S/C34H50N4O9.C34H52N4O8.C32H50N4O8S.C31H45N5O6.C31H46N4O8.C31H44N4O7.C29H48N4O8/c1-8-45-27(39)15-14-25(19-24-16-17-35-29(24)40)36-30(41)26(18-21(2)3)37-31(42)28(22(4)47-32(43)34(5,6)7)38-33(44)46-20-23-12-10-9-11-13-23;1-21(2)18-27(31(41)36-26(14-15-28(39)45-22(3)4)19-25-16-17-35-30(25)40)37-32(42)29(23(5)46-34(6,7)8)38-33(43)44-20-24-12-10-9-11-13-24;1-8-43-27(37)15-14-25(19-24-16-17-33-29(24)38)34-30(39)26(18-21(2)3)35-31(40)28(22(4)44-32(5,6)7)36-45(41,42)20-23-12-10-9-11-13-23;1-20(2)17-25(28(38)34-24(13-10-15-32)18-23-14-16-33-27(23)37)35-29(39)26(21(3)42-31(4,5)6)36-30(40)41-19-22-11-8-7-9-12-22;1-19(2)16-24(28(39)33-23(12-13-25(36)37)17-22-14-15-32-27(22)38)34-29(40)26(20(3)43-31(4,5)6)35-30(41)42-18-21-10-8-7-9-11-21;1-4-41-27(36)14-13-24(19-23-15-16-32-28(23)37)33-29(38)26(18-21(2)3)35-17-9-8-12-25(30(35)39)34-31(40)42-20-22-10-6-5-7-11-22;1-9-15-40-28(38)33-24(19(5)41-29(6,7)8)27(37)32-22(16-18(3)4)26(36)31-21(11-12-23(34)39-10-2)17-20-13-14-30-25(20)35/h9-15,21-22,24-26,28H,8,16-20H2,1-7H3,(H,35,40)(H,36,41)(H,37,42)(H,38,44);9-15,21-23,25-27,29H,16-20H2,1-8H3,(H,35,40)(H,36,41)(H,37,42)(H,38,43);9-15,21-22,24-26,28,36H,8,16-20H2,1-7H3,(H,33,38)(H,34,39)(H,35,40);7-13,20-21,23-26H,14,16-19H2,1-6H3,(H,33,37)(H,34,38)(H,35,39)(H,36,40);7-13,19-20,22-24,26H,14-18H2,1-6H3,(H,32,38)(H,33,39)(H,34,40)(H,35,41)(H,36,37);5-7,10-11,13-14,21,23-26H,4,8-9,12,15-20H2,1-3H3,(H,32,37)(H,33,38)(H,34,40);9,11-12,18-22,24H,1,10,13-17H2,2-8H3,(H,30,35)(H,31,36)(H,32,37)(H,33,38)/b3*15-14+;13-10+;13-12+;14-13+;12-11+/t22?,24-,25+,26-,28-;23?,25?,26-,27+,29+;22?,24-,25+,26-,28-;21?,23?,24-,25+,26+;20?,22?,23-,24+,26+;23?,24-,25?,26+;19?,20-,21+,22-,24-/m0101110/s1
InChIKeyQVYBNJHKMGKNTB-RYVCGUTASA-N
XLogP19.54
TPSA1143.50 Ų
H-Bond Donors28
H-Bond Acceptors54
Rotatable Bonds107
Heavy Atoms306
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004306.34
LogP ≤ 519.54
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1054

Analyze benzyl N-[(2S)-1-[[(2S)-1-[[(E,2S)-4-cyano-1-(2-oxopyrrolidin-3-yl)but-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(benzylsulfonylamino)-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-3-(2,2-dimethylpropanoyloxy)-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(prop-2-enoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[2-oxo-3-(phenylmethoxycarbonylamino)azepan-1-yl]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate;(E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoic acid;propan-2-yl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate with MolForge

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Related Compounds

ethyl (4S)-4-[[(2S)-2-[[(2S)-2-(benzylsulfonylamino)-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
CID 91060707
ethyl (E,4S)-4-[[(2S)-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
CID 11479291
1-phenylethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
CID 11285510
cyclopropylmethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
CID 11215963
benzyl N-[1-[[1-[[5-cyclopropyl-5-oxo-1-(2-oxopyrrolidin-3-yl)pent-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate
CID 74383826
benzyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate;cyclopentyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate;ethyl (E,4S)-4-[[(2S)-3-(dimethylamino)-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;1-phenylethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate
CID 157360347
(3S)-4-[[(2S)-1-[[(2S)-5-ethoxy-5-oxo-1-(2-oxopyrrolidin-3-yl)pent-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
CID 90869130
ethyl (E,4S)-4-[[(2S)-2-[[3-(4-fluorophenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
CID 143078342
ethyl (4S)-4-[[(2S)-2-[[(2S)-3-(4-fluorophenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
CID 91356750
ethyl (E,4S)-4-[[(2S)-2-[[(2R)-6-amino-2-(phenylmethoxycarbonylamino)hexanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
CID 11296370
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
CID 59016397
ethyl (4S)-4-[[(2S)-2-[[(2S)-6-(methanesulfonamido)-2-(phenylmethoxycarbonylamino)hexanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
CID 91542837

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-[[(2S)-1-[[(E,2S)-4-cyano-1-(2-oxopyrrolidin-3-yl)but-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(benzylsulfonylamino)-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-3-(2,2-dimethylpropanoyloxy)-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(prop-2-enoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[2-oxo-3-(phenylmethoxycarbonylamino)azepan-1-yl]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate;(E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoic acid;propan-2-yl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate?
The IUPAC name of benzyl N-[(2S)-1-[[(2S)-1-[[(E,2S)-4-cyano-1-(2-oxopyrrolidin-3-yl)but-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(benzylsulfonylamino)-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-3-(2,2-dimethylpropanoyloxy)-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(prop-2-enoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[2-oxo-3-(phenylmethoxycarbonylamino)azepan-1-yl]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate;(E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoic acid;propan-2-yl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate (CID 160534216) is benzyl N-[(2S)-1-[[(2S)-1-[[(E,2S)-4-cyano-1-(2-oxopyrrolidin-3-yl)but-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(benzylsulfonylamino)-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-3-(2,2-dimethylpropanoyloxy)-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(prop-2-enoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[2-oxo-3-(phenylmethoxycarbonylamino)azepan-1-yl]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate;(E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoic acid;propan-2-yl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate.
What is the SMILES notation for benzyl N-[(2S)-1-[[(2S)-1-[[(E,2S)-4-cyano-1-(2-oxopyrrolidin-3-yl)but-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(benzylsulfonylamino)-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-3-(2,2-dimethylpropanoyloxy)-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(prop-2-enoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[2-oxo-3-(phenylmethoxycarbonylamino)azepan-1-yl]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate;(E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoic acid;propan-2-yl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate?
The canonical SMILES for benzyl N-[(2S)-1-[[(2S)-1-[[(E,2S)-4-cyano-1-(2-oxopyrrolidin-3-yl)but-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(benzylsulfonylamino)-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-3-(2,2-dimethylpropanoyloxy)-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(prop-2-enoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[2-oxo-3-(phenylmethoxycarbonylamino)azepan-1-yl]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate;(E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoic acid;propan-2-yl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate is C=CCOC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](/C=C/C(=O)OCC)C[C@@H]1CCNC1=O)C(C)OC(C)(C)C.CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(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(C)(C)C)C(=O)N[C@H](/C=C/C(=O)O)CC1CCNC1=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=C/C(=O)OC(C)C)CC1CCNC1=O.CCOC(=O)/C=C/[C@H](CC1CCNC1=O)NC(=O)[C@H](CC(C)C)N1CCCCC(NC(=O)OCc2ccccc2)C1=O.CCOC(=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(=O)C(C)(C)C.CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NS(=O)(=O)Cc1ccccc1)C(C)OC(C)(C)C.
What is the InChIKey of benzyl N-[(2S)-1-[[(2S)-1-[[(E,2S)-4-cyano-1-(2-oxopyrrolidin-3-yl)but-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(benzylsulfonylamino)-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-3-(2,2-dimethylpropanoyloxy)-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(prop-2-enoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[2-oxo-3-(phenylmethoxycarbonylamino)azepan-1-yl]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate;(E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoic acid;propan-2-yl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate?
The InChIKey is QVYBNJHKMGKNTB-RYVCGUTASA-N. The full InChI is InChI=1S/C34H50N4O9.C34H52N4O8.C32H50N4O8S.C31H45N5O6.C31H46N4O8.C31H44N4O7.C29H48N4O8/c1-8-45-27(39)15-14-25(19-24-16-17-35-29(24)40)36-30(41)26(18-21(2)3)37-31(42)28(22(4)47-32(43)34(5,6)7)38-33(44)46-20-23-12-10-9-11-13-23;1-21(2)18-27(31(41)36-26(14-15-28(39)45-22(3)4)19-25-16-17-35-30(25)40)37-32(42)29(23(5)46-34(6,7)8)38-33(43)44-20-24-12-10-9-11-13-24;1-8-43-27(37)15-14-25(19-24-16-17-33-29(24)38)34-30(39)26(18-21(2)3)35-31(40)28(22(4)44-32(5,6)7)36-45(41,42)20-23-12-10-9-11-13-23;1-20(2)17-25(28(38)34-24(13-10-15-32)18-23-14-16-33-27(23)37)35-29(39)26(21(3)42-31(4,5)6)36-30(40)41-19-22-11-8-7-9-12-22;1-19(2)16-24(28(39)33-23(12-13-25(36)37)17-22-14-15-32-27(22)38)34-29(40)26(20(3)43-31(4,5)6)35-30(41)42-18-21-10-8-7-9-11-21;1-4-41-27(36)14-13-24(19-23-15-16-32-28(23)37)33-29(38)26(18-21(2)3)35-17-9-8-12-25(30(35)39)34-31(40)42-20-22-10-6-5-7-11-22;1-9-15-40-28(38)33-24(19(5)41-29(6,7)8)27(37)32-22(16-18(3)4)26(36)31-21(11-12-23(34)39-10-2)17-20-13-14-30-25(20)35/h9-15,21-22,24-26,28H,8,16-20H2,1-7H3,(H,35,40)(H,36,41)(H,37,42)(H,38,44);9-15,21-23,25-27,29H,16-20H2,1-8H3,(H,35,40)(H,36,41)(H,37,42)(H,38,43);9-15,21-22,24-26,28,36H,8,16-20H2,1-7H3,(H,33,38)(H,34,39)(H,35,40);7-13,20-21,23-26H,14,16-19H2,1-6H3,(H,33,37)(H,34,38)(H,35,39)(H,36,40);7-13,19-20,22-24,26H,14-18H2,1-6H3,(H,32,38)(H,33,39)(H,34,40)(H,35,41)(H,36,37);5-7,10-11,13-14,21,23-26H,4,8-9,12,15-20H2,1-3H3,(H,32,37)(H,33,38)(H,34,40);9,11-12,18-22,24H,1,10,13-17H2,2-8H3,(H,30,35)(H,31,36)(H,32,37)(H,33,38)/b3*15-14+;13-10+;13-12+;14-13+;12-11+/t22?,24-,25+,26-,28-;23?,25?,26-,27+,29+;22?,24-,25+,26-,28-;21?,23?,24-,25+,26+;20?,22?,23-,24+,26+;23?,24-,25?,26+;19?,20-,21+,22-,24-/m0101110/s1.
What are the key properties of benzyl N-[(2S)-1-[[(2S)-1-[[(E,2S)-4-cyano-1-(2-oxopyrrolidin-3-yl)but-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(benzylsulfonylamino)-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-3-(2,2-dimethylpropanoyloxy)-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(prop-2-enoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[2-oxo-3-(phenylmethoxycarbonylamino)azepan-1-yl]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate;(E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoic acid;propan-2-yl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate?
benzyl N-[(2S)-1-[[(2S)-1-[[(E,2S)-4-cyano-1-(2-oxopyrrolidin-3-yl)but-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(benzylsulfonylamino)-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-3-(2,2-dimethylpropanoyloxy)-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(prop-2-enoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[2-oxo-3-(phenylmethoxycarbonylamino)azepan-1-yl]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate;(E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoic acid;propan-2-yl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate has a molecular weight of 4306.34 g/mol, XLogP of 19.54, 107 rotatable bonds, 28 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-[[(2S)-1-[[(E,2S)-4-cyano-1-(2-oxopyrrolidin-3-yl)but-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(benzylsulfonylamino)-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-3-(2,2-dimethylpropanoyloxy)-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(prop-2-enoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[2-oxo-3-(phenylmethoxycarbonylamino)azepan-1-yl]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate;(E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoic acid;propan-2-yl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate is sourced from PubChem (CID 160534216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).