2-[(1S)-cyclopent-2-en-1-yl]-N-[(2S,3R)-4-[cyclopropylmethyl-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide;2-[(1S)-cyclopent-2-en-1-yl]-N-[(2S,3R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-[(2R)-2-hydroxypropyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide;N-[(2S,3R)-4-[cyclopropylmethyl(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide;N-[(2S,3R)-4-[cyclopropylmethyl(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide;N-[(2S,3R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide;N-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide

C148H195N17O32S9 — CID 161345398

IUPAC2-[(1S)-cyclopent-2-en-1-yl]-N-[(2S,3R)-4-[cyclopropylmethyl-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide;2-[(1S)-cyclopent-2-en-1-yl]-N-[(2S,3R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-[(2R)-2-hydroxypropyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide;N-[(2S,3R)-4-[cyclopropylmethyl(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide;N-[(2S,3R)-4-[cyclopropylmethyl(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide;N-[(2S,3R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide;N-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide
SMILESCCC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)O)S(=O)(=O)c1ccco1.CCC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC1CC1)S(=O)(=O)c1ccco1.Cc1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)O)S(=O)(=O)c2sc(C)nc2C)n1.Cc1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC2CC2)S(=O)(=O)c2ccco2)n1.Cc1nc(C)c(S(=O)(=O)N(CC2CC2)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)C[C@H]2C=CCC2)s1.Cc1nc(C)c(S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)C[C@H]2C=CCC2)C[C@@H](C)O)s1
InChIInChI=1S/C26H35N3O4S2.C25H32N4O5S2.C25H35N3O5S2.C25H29N3O5S.C24H32N2O6S.C23H32N2O7S/c1-18-26(34-19(2)27-18)35(32,33)29(16-22-12-13-22)17-24(30)23(14-20-8-4-3-5-9-20)28-25(31)15-21-10-6-7-11-21;1-16-9-8-12-21(26-16)24(32)28-22(13-20-10-6-5-7-11-20)23(31)15-29(14-17(2)30)36(33,34)25-18(3)27-19(4)35-25;1-17(29)15-28(35(32,33)25-18(2)26-19(3)34-25)16-23(30)22(13-20-9-5-4-6-10-20)27-24(31)14-21-11-7-8-12-21;1-18-7-5-10-21(26-18)25(30)27-22(15-19-8-3-2-4-9-19)23(29)17-28(16-20-12-13-20)34(31,32)24-11-6-14-33-24;1-2-20(27)12-13-23(29)25-21(15-18-7-4-3-5-8-18)22(28)17-26(16-19-10-11-19)33(30,31)24-9-6-14-32-24;1-3-19(27)11-12-22(29)24-20(14-18-8-5-4-6-9-18)21(28)16-25(15-17(2)26)33(30,31)23-10-7-13-32-23/h3-6,8-10,21-24,30H,7,11-17H2,1-2H3,(H,28,31);5-12,17,22-23,30-31H,13-15H2,1-4H3,(H,28,32);4-7,9-11,17,21-23,29-30H,8,12-16H2,1-3H3,(H,27,31);2-11,14,20,22-23,29H,12-13,15-17H2,1H3,(H,27,30);3-9,14,19,21-22,28H,2,10-13,15-17H2,1H3,(H,25,29);4-10,13,17,20-21,26,28H,3,11-12,14-16H2,1-2H3,(H,24,29)/t21-,23-,24+;17?,22-,23+;17-,21+,22+,23-;22-,23+;21-,22+;17?,20-,21+/m001000/s1
InChIKeyVNFLJFLXRCKGAP-DMHKFADPSA-N
MW3012.88 g/mol
LogP15.23
Rot. Bonds74

About 2-[(1S)-cyclopent-2-en-1-yl]-N-[(2S,3R)-4-[cyclopropylmethyl-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide;2-[(1S)-cyclopent-2-en-1-yl]-N-[(2S,3R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-[(2R)-2-hydroxypropyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide;N-[(2S,3R)-4-[cyclopropylmethyl(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide;N-[(2S,3R)-4-[cyclopropylmethyl(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide;N-[(2S,3R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide;N-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide

2-[(1S)-cyclopent-2-en-1-yl]-N-[(2S,3R)-4-[cyclopropylmethyl-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide;2-[(1S)-cyclopent-2-en-1-yl]-N-[(2S,3R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-[(2R)-2-hydroxypropyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide;N-[(2S,3R)-4-[cyclopropylmethyl(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide;N-[(2S,3R)-4-[cyclopropylmethyl(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide;N-[(2S,3R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide;N-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide (PubChem CID 161345398) has the molecular formula C148H195N17O32S9 and a molecular weight of 3012.88 g/mol. Its IUPAC name is 2-[(1S)-cyclopent-2-en-1-yl]-N-[(2S,3R)-4-[cyclopropylmethyl-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide;2-[(1S)-cyclopent-2-en-1-yl]-N-[(2S,3R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-[(2R)-2-hydroxypropyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide;N-[(2S,3R)-4-[cyclopropylmethyl(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide;N-[(2S,3R)-4-[cyclopropylmethyl(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide;N-[(2S,3R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide;N-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide.

Molecular Properties

Compound Name2-[(1S)-cyclopent-2-en-1-yl]-N-[(2S,3R)-4-[cyclopropylmethyl-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide;2-[(1S)-cyclopent-2-en-1-yl]-N-[(2S,3R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-[(2R)-2-hydroxypropyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide;N-[(2S,3R)-4-[cyclopropylmethyl(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide;N-[(2S,3R)-4-[cyclopropylmethyl(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide;N-[(2S,3R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide;N-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide
PubChem CID161345398
Molecular FormulaC148H195N17O32S9
Molecular Weight3012.88 g/mol
Exact Mass3010.16
IUPAC Name2-[(1S)-cyclopent-2-en-1-yl]-N-[(2S,3R)-4-[cyclopropylmethyl-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide;2-[(1S)-cyclopent-2-en-1-yl]-N-[(2S,3R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-[(2R)-2-hydroxypropyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide;N-[(2S,3R)-4-[cyclopropylmethyl(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide;N-[(2S,3R)-4-[cyclopropylmethyl(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide;N-[(2S,3R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide;N-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide
SMILESCCC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)O)S(=O)(=O)c1ccco1.CCC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC1CC1)S(=O)(=O)c1ccco1.Cc1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)O)S(=O)(=O)c2sc(C)nc2C)n1.Cc1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC2CC2)S(=O)(=O)c2ccco2)n1.Cc1nc(C)c(S(=O)(=O)N(CC2CC2)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)C[C@H]2C=CCC2)s1.Cc1nc(C)c(S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)C[C@H]2C=CCC2)C[C@@H](C)O)s1
InChIInChI=1S/C26H35N3O4S2.C25H32N4O5S2.C25H35N3O5S2.C25H29N3O5S.C24H32N2O6S.C23H32N2O7S/c1-18-26(34-19(2)27-18)35(32,33)29(16-22-12-13-22)17-24(30)23(14-20-8-4-3-5-9-20)28-25(31)15-21-10-6-7-11-21;1-16-9-8-12-21(26-16)24(32)28-22(13-20-10-6-5-7-11-20)23(31)15-29(14-17(2)30)36(33,34)25-18(3)27-19(4)35-25;1-17(29)15-28(35(32,33)25-18(2)26-19(3)34-25)16-23(30)22(13-20-9-5-4-6-10-20)27-24(31)14-21-11-7-8-12-21;1-18-7-5-10-21(26-18)25(30)27-22(15-19-8-3-2-4-9-19)23(29)17-28(16-20-12-13-20)34(31,32)24-11-6-14-33-24;1-2-20(27)12-13-23(29)25-21(15-18-7-4-3-5-8-18)22(28)17-26(16-19-10-11-19)33(30,31)24-9-6-14-32-24;1-3-19(27)11-12-22(29)24-20(14-18-8-5-4-6-9-18)21(28)16-25(15-17(2)26)33(30,31)23-10-7-13-32-23/h3-6,8-10,21-24,30H,7,11-17H2,1-2H3,(H,28,31);5-12,17,22-23,30-31H,13-15H2,1-4H3,(H,28,32);4-7,9-11,17,21-23,29-30H,8,12-16H2,1-3H3,(H,27,31);2-11,14,20,22-23,29H,12-13,15-17H2,1H3,(H,27,30);3-9,14,19,21-22,28H,2,10-13,15-17H2,1H3,(H,25,29);4-10,13,17,20-21,26,28H,3,11-12,14-16H2,1-2H3,(H,24,29)/t21-,23-,24+;17?,22-,23+;17-,21+,22+,23-;22-,23+;21-,22+;17?,20-,21+/m001000/s1
InChIKeyVNFLJFLXRCKGAP-DMHKFADPSA-N
XLogP15.23
TPSA718.96 Ų
H-Bond Donors15
H-Bond Acceptors40
Rotatable Bonds74
Heavy Atoms206
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003012.88
LogP ≤ 515.23
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(1S)-cyclopent-2-en-1-yl]-N-[(2S,3R)-4-[cyclopropylmethyl-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide;2-[(1S)-cyclopent-2-en-1-yl]-N-[(2S,3R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-[(2R)-2-hydroxypropyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide;N-[(2S,3R)-4-[cyclopropylmethyl(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide;N-[(2S,3R)-4-[cyclopropylmethyl(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide;N-[(2S,3R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide;N-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-[(2S,3R)-4-[cyclopropylmethyl-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide;2-[(1S)-cyclopent-2-en-1-yl]-N-[(2S,3R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-[(2R)-2-hydroxypropyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide;N-[(2S,3R)-4-[cyclopropylmethyl(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide;N-[(2S,3R)-4-[cyclopropylmethyl(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide;N-[(2S,3R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide;N-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide?
The IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-[(2S,3R)-4-[cyclopropylmethyl-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide;2-[(1S)-cyclopent-2-en-1-yl]-N-[(2S,3R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-[(2R)-2-hydroxypropyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide;N-[(2S,3R)-4-[cyclopropylmethyl(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide;N-[(2S,3R)-4-[cyclopropylmethyl(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide;N-[(2S,3R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide;N-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide (CID 161345398) is 2-[(1S)-cyclopent-2-en-1-yl]-N-[(2S,3R)-4-[cyclopropylmethyl-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide;2-[(1S)-cyclopent-2-en-1-yl]-N-[(2S,3R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-[(2R)-2-hydroxypropyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide;N-[(2S,3R)-4-[cyclopropylmethyl(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide;N-[(2S,3R)-4-[cyclopropylmethyl(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide;N-[(2S,3R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide;N-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide.
What is the SMILES notation for 2-[(1S)-cyclopent-2-en-1-yl]-N-[(2S,3R)-4-[cyclopropylmethyl-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide;2-[(1S)-cyclopent-2-en-1-yl]-N-[(2S,3R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-[(2R)-2-hydroxypropyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide;N-[(2S,3R)-4-[cyclopropylmethyl(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide;N-[(2S,3R)-4-[cyclopropylmethyl(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide;N-[(2S,3R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide;N-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide?
The canonical SMILES for 2-[(1S)-cyclopent-2-en-1-yl]-N-[(2S,3R)-4-[cyclopropylmethyl-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide;2-[(1S)-cyclopent-2-en-1-yl]-N-[(2S,3R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-[(2R)-2-hydroxypropyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide;N-[(2S,3R)-4-[cyclopropylmethyl(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide;N-[(2S,3R)-4-[cyclopropylmethyl(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide;N-[(2S,3R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide;N-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide is CCC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)O)S(=O)(=O)c1ccco1.CCC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC1CC1)S(=O)(=O)c1ccco1.Cc1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)O)S(=O)(=O)c2sc(C)nc2C)n1.Cc1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC2CC2)S(=O)(=O)c2ccco2)n1.Cc1nc(C)c(S(=O)(=O)N(CC2CC2)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)C[C@H]2C=CCC2)s1.Cc1nc(C)c(S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)C[C@H]2C=CCC2)C[C@@H](C)O)s1.
What is the InChIKey of 2-[(1S)-cyclopent-2-en-1-yl]-N-[(2S,3R)-4-[cyclopropylmethyl-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide;2-[(1S)-cyclopent-2-en-1-yl]-N-[(2S,3R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-[(2R)-2-hydroxypropyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide;N-[(2S,3R)-4-[cyclopropylmethyl(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide;N-[(2S,3R)-4-[cyclopropylmethyl(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide;N-[(2S,3R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide;N-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide?
The InChIKey is VNFLJFLXRCKGAP-DMHKFADPSA-N. The full InChI is InChI=1S/C26H35N3O4S2.C25H32N4O5S2.C25H35N3O5S2.C25H29N3O5S.C24H32N2O6S.C23H32N2O7S/c1-18-26(34-19(2)27-18)35(32,33)29(16-22-12-13-22)17-24(30)23(14-20-8-4-3-5-9-20)28-25(31)15-21-10-6-7-11-21;1-16-9-8-12-21(26-16)24(32)28-22(13-20-10-6-5-7-11-20)23(31)15-29(14-17(2)30)36(33,34)25-18(3)27-19(4)35-25;1-17(29)15-28(35(32,33)25-18(2)26-19(3)34-25)16-23(30)22(13-20-9-5-4-6-10-20)27-24(31)14-21-11-7-8-12-21;1-18-7-5-10-21(26-18)25(30)27-22(15-19-8-3-2-4-9-19)23(29)17-28(16-20-12-13-20)34(31,32)24-11-6-14-33-24;1-2-20(27)12-13-23(29)25-21(15-18-7-4-3-5-8-18)22(28)17-26(16-19-10-11-19)33(30,31)24-9-6-14-32-24;1-3-19(27)11-12-22(29)24-20(14-18-8-5-4-6-9-18)21(28)16-25(15-17(2)26)33(30,31)23-10-7-13-32-23/h3-6,8-10,21-24,30H,7,11-17H2,1-2H3,(H,28,31);5-12,17,22-23,30-31H,13-15H2,1-4H3,(H,28,32);4-7,9-11,17,21-23,29-30H,8,12-16H2,1-3H3,(H,27,31);2-11,14,20,22-23,29H,12-13,15-17H2,1H3,(H,27,30);3-9,14,19,21-22,28H,2,10-13,15-17H2,1H3,(H,25,29);4-10,13,17,20-21,26,28H,3,11-12,14-16H2,1-2H3,(H,24,29)/t21-,23-,24+;17?,22-,23+;17-,21+,22+,23-;22-,23+;21-,22+;17?,20-,21+/m001000/s1.
What are the key properties of 2-[(1S)-cyclopent-2-en-1-yl]-N-[(2S,3R)-4-[cyclopropylmethyl-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide;2-[(1S)-cyclopent-2-en-1-yl]-N-[(2S,3R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-[(2R)-2-hydroxypropyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide;N-[(2S,3R)-4-[cyclopropylmethyl(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide;N-[(2S,3R)-4-[cyclopropylmethyl(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide;N-[(2S,3R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide;N-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide?
2-[(1S)-cyclopent-2-en-1-yl]-N-[(2S,3R)-4-[cyclopropylmethyl-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide;2-[(1S)-cyclopent-2-en-1-yl]-N-[(2S,3R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-[(2R)-2-hydroxypropyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide;N-[(2S,3R)-4-[cyclopropylmethyl(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide;N-[(2S,3R)-4-[cyclopropylmethyl(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide;N-[(2S,3R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide;N-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide has a molecular weight of 3012.88 g/mol, XLogP of 15.23, 74 rotatable bonds, 15 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-cyclopent-2-en-1-yl]-N-[(2S,3R)-4-[cyclopropylmethyl-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide;2-[(1S)-cyclopent-2-en-1-yl]-N-[(2S,3R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-[(2R)-2-hydroxypropyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide;N-[(2S,3R)-4-[cyclopropylmethyl(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide;N-[(2S,3R)-4-[cyclopropylmethyl(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide;N-[(2S,3R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide;N-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide is sourced from PubChem (CID 161345398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).