(2S)-2-[[(4R)-3-(benzenesulfonyl)-5,5-dimethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2-ethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2-methyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[2-oxo-7-(2,3,4,5-tetrahydropyridin-6-yl)heptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2,5,5-trimethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid

C189H240N18O36S12 — CID 162182998

About (2S)-2-[[(4R)-3-(benzenesulfonyl)-5,5-dimethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2-ethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2-methyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[2-oxo-7-(2,3,4,5-tetrahydropyridin-6-yl)heptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2,5,5-trimethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid

(2S)-2-[[(4R)-3-(benzenesulfonyl)-5,5-dimethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2-ethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2-methyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[2-oxo-7-(2,3,4,5-tetrahydropyridin-6-yl)heptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2,5,5-trimethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid (PubChem CID 162182998) has the molecular formula C189H240N18O36S12 and a molecular weight of 3724.89 g/mol. Its IUPAC name is (2S)-2-[[(4R)-3-(benzenesulfonyl)-5,5-dimethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2-ethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2-methyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[2-oxo-7-(2,3,4,5-tetrahydropyridin-6-yl)heptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2,5,5-trimethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid.

Molecular Properties

• Compound Name: (2S)-2-[[(4R)-3-(benzenesulfonyl)-5,5-dimethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2-ethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2-methyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[2-oxo-7-(2,3,4,5-tetrahydropyridin-6-yl)heptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2,5,5-trimethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid
• PubChem CID: 162182998
• Molecular Formula: C189H240N18O36S12
• Molecular Weight: 3724.89 g/mol
• Exact Mass: 3721.42
• IUPAC Name: (2S)-2-[[(4R)-3-(benzenesulfonyl)-5,5-dimethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2-ethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2-methyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[2-oxo-7-(2,3,4,5-tetrahydropyridin-6-yl)heptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2,5,5-trimethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid
• SMILES: CC1(C)SCN(S(=O)(=O)c2ccccc2)[C@@H]1C(=O)N[C@@H](Cc1ccc(CC(=O)CCCCCC2=NCCC2)cc1)C(=O)O.CC1SC(C)(C)[C@@H](C(=O)N[C@@H](Cc2ccc(CC(=O)CCCCCC3=NCCC3)cc2)C(=O)O)N1S(=O)(=O)c1ccccc1.CC1SC[C@@H](C(=O)N[C@@H](Cc2ccc(CC(=O)CCCCCC3=NCCC3)cc2)C(=O)O)N1S(=O)(=O)c1ccccc1.CCC1SC[C@@H](C(=O)N[C@@H](Cc2ccc(CC(=O)CCCCCC3=NCCC3)cc2)C(=O)O)N1S(=O)(=O)c1ccccc1.O=C(CCCCCC1=NCCC1)Cc1ccc(C[C@H](NC(=O)[C@@H]2CSCN2S(=O)(=O)c2ccccc2)C(=O)O)cc1.O=C(CCCCCC1=NCCCC1)Cc1ccc(C[C@H](NC(=O)[C@@H]2CSCN2S(=O)(=O)c2ccccc2)C(=O)O)cc1
• InChI: InChI=1S/C33H43N3O6S2.2C32H41N3O6S2.2C31H39N3O6S2.C30H37N3O6S2/c1-23-36(44(41,42)28-14-8-5-9-15-28)30(33(2,3)43-23)31(38)35-29(32(39)40)22-25-18-16-24(17-19-25)21-27(37)13-7-4-6-11-26-12-10-20-34-26;1-32(2)29(35(22-42-32)43(40,41)27-13-7-4-8-14-27)30(37)34-28(31(38)39)21-24-17-15-23(16-18-24)20-26(36)12-6-3-5-10-25-11-9-19-33-25;1-2-30-35(43(40,41)27-13-7-4-8-14-27)29(22-42-30)31(37)34-28(32(38)39)21-24-17-15-23(16-18-24)20-26(36)12-6-3-5-10-25-11-9-19-33-25;1-22-34(42(39,40)27-12-6-3-7-13-27)29(21-41-22)30(36)33-28(31(37)38)20-24-16-14-23(15-17-24)19-26(35)11-5-2-4-9-25-10-8-18-32-25;35-26(11-4-1-3-9-25-10-7-8-18-32-25)19-23-14-16-24(17-15-23)20-28(31(37)38)33-30(36)29-21-41-22-34(29)42(39,40)27-12-5-2-6-13-27;34-25(10-4-1-3-8-24-9-7-17-31-24)18-22-13-15-23(16-14-22)19-27(30(36)37)32-29(35)28-20-40-21-33(28)41(38,39)26-11-5-2-6-12-26/h5,8-9,14-19,23,29-30H,4,6-7,10-13,20-22H2,1-3H3,(H,35,38)(H,39,40);4,7-8,13-18,28-29H,3,5-6,9-12,19-22H2,1-2H3,(H,34,37)(H,38,39);4,7-8,13-18,28-30H,2-3,5-6,9-12,19-22H2,1H3,(H,34,37)(H,38,39);3,6-7,12-17,22,28-29H,2,4-5,8-11,18-21H2,1H3,(H,33,36)(H,37,38);2,5-6,12-17,28-29H,1,3-4,7-11,18-22H2,(H,33,36)(H,37,38);2,5-6,11-16,27-28H,1,3-4,7-10,17-21H2,(H,32,35)(H,36,37)/t23?,29-,30+;28-,29+;28-,29-,30?;22?,28-,29-;28-,29-;27-,28-/m000000/s1
• InChIKey: ZPHFLXOZPIJHBM-OTSPEGSZSA-N
• XLogP: 26.66
• TPSA: 799.26 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 42
• Rotatable Bonds: 91
• Heavy Atoms: 255
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3724.89
LogP ≤ 5	26.66
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(4R)-3-(benzenesulfonyl)-5,5-dimethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2-ethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2-methyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[2-oxo-7-(2,3,4,5-tetrahydropyridin-6-yl)heptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2,5,5-trimethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid?

The IUPAC name of (2S)-2-[[(4R)-3-(benzenesulfonyl)-5,5-dimethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2-ethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2-methyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[2-oxo-7-(2,3,4,5-tetrahydropyridin-6-yl)heptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2,5,5-trimethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid (CID 162182998) is (2S)-2-[[(4R)-3-(benzenesulfonyl)-5,5-dimethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2-ethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2-methyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[2-oxo-7-(2,3,4,5-tetrahydropyridin-6-yl)heptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2,5,5-trimethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid.

What is the SMILES notation for (2S)-2-[[(4R)-3-(benzenesulfonyl)-5,5-dimethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2-ethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2-methyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[2-oxo-7-(2,3,4,5-tetrahydropyridin-6-yl)heptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2,5,5-trimethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid?

The canonical SMILES for (2S)-2-[[(4R)-3-(benzenesulfonyl)-5,5-dimethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2-ethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2-methyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[2-oxo-7-(2,3,4,5-tetrahydropyridin-6-yl)heptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2,5,5-trimethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid is CC1(C)SCN(S(=O)(=O)c2ccccc2)[C@@H]1C(=O)N[C@@H](Cc1ccc(CC(=O)CCCCCC2=NCCC2)cc1)C(=O)O.CC1SC(C)(C)[C@@H](C(=O)N[C@@H](Cc2ccc(CC(=O)CCCCCC3=NCCC3)cc2)C(=O)O)N1S(=O)(=O)c1ccccc1.CC1SC[C@@H](C(=O)N[C@@H](Cc2ccc(CC(=O)CCCCCC3=NCCC3)cc2)C(=O)O)N1S(=O)(=O)c1ccccc1.CCC1SC[C@@H](C(=O)N[C@@H](Cc2ccc(CC(=O)CCCCCC3=NCCC3)cc2)C(=O)O)N1S(=O)(=O)c1ccccc1.O=C(CCCCCC1=NCCC1)Cc1ccc(C[C@H](NC(=O)[C@@H]2CSCN2S(=O)(=O)c2ccccc2)C(=O)O)cc1.O=C(CCCCCC1=NCCCC1)Cc1ccc(C[C@H](NC(=O)[C@@H]2CSCN2S(=O)(=O)c2ccccc2)C(=O)O)cc1.

What is the InChIKey of (2S)-2-[[(4R)-3-(benzenesulfonyl)-5,5-dimethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2-ethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2-methyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[2-oxo-7-(2,3,4,5-tetrahydropyridin-6-yl)heptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2,5,5-trimethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid?

The InChIKey is ZPHFLXOZPIJHBM-OTSPEGSZSA-N. The full InChI is InChI=1S/C33H43N3O6S2.2C32H41N3O6S2.2C31H39N3O6S2.C30H37N3O6S2/c1-23-36(44(41,42)28-14-8-5-9-15-28)30(33(2,3)43-23)31(38)35-29(32(39)40)22-25-18-16-24(17-19-25)21-27(37)13-7-4-6-11-26-12-10-20-34-26;1-32(2)29(35(22-42-32)43(40,41)27-13-7-4-8-14-27)30(37)34-28(31(38)39)21-24-17-15-23(16-18-24)20-26(36)12-6-3-5-10-25-11-9-19-33-25;1-2-30-35(43(40,41)27-13-7-4-8-14-27)29(22-42-30)31(37)34-28(32(38)39)21-24-17-15-23(16-18-24)20-26(36)12-6-3-5-10-25-11-9-19-33-25;1-22-34(42(39,40)27-12-6-3-7-13-27)29(21-41-22)30(36)33-28(31(37)38)20-24-16-14-23(15-17-24)19-26(35)11-5-2-4-9-25-10-8-18-32-25;35-26(11-4-1-3-9-25-10-7-8-18-32-25)19-23-14-16-24(17-15-23)20-28(31(37)38)33-30(36)29-21-41-22-34(29)42(39,40)27-12-5-2-6-13-27;34-25(10-4-1-3-8-24-9-7-17-31-24)18-22-13-15-23(16-14-22)19-27(30(36)37)32-29(35)28-20-40-21-33(28)41(38,39)26-11-5-2-6-12-26/h5,8-9,14-19,23,29-30H,4,6-7,10-13,20-22H2,1-3H3,(H,35,38)(H,39,40);4,7-8,13-18,28-29H,3,5-6,9-12,19-22H2,1-2H3,(H,34,37)(H,38,39);4,7-8,13-18,28-30H,2-3,5-6,9-12,19-22H2,1H3,(H,34,37)(H,38,39);3,6-7,12-17,22,28-29H,2,4-5,8-11,18-21H2,1H3,(H,33,36)(H,37,38);2,5-6,12-17,28-29H,1,3-4,7-11,18-22H2,(H,33,36)(H,37,38);2,5-6,11-16,27-28H,1,3-4,7-10,17-21H2,(H,32,35)(H,36,37)/t23?,29-,30+;28-,29+;28-,29-,30?;22?,28-,29-;28-,29-;27-,28-/m000000/s1.

What are the key properties of (2S)-2-[[(4R)-3-(benzenesulfonyl)-5,5-dimethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2-ethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2-methyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[2-oxo-7-(2,3,4,5-tetrahydropyridin-6-yl)heptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2,5,5-trimethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid?

(2S)-2-[[(4R)-3-(benzenesulfonyl)-5,5-dimethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2-ethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2-methyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[2-oxo-7-(2,3,4,5-tetrahydropyridin-6-yl)heptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2,5,5-trimethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid has a molecular weight of 3724.89 g/mol, XLogP of 26.66, 91 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[(4R)-3-(benzenesulfonyl)-5,5-dimethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2-ethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2-methyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[2-oxo-7-(2,3,4,5-tetrahydropyridin-6-yl)heptyl]phenyl]propanoic acid;(2S)-2-[[(4R)-3-(benzenesulfonyl)-2,5,5-trimethyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[7-(3,4-dihydro-2H-pyrrol-5-yl)-2-oxoheptyl]phenyl]propanoic acid is sourced from PubChem (CID 162182998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).