(4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-3,6-dioxo-1-phenylheptan-2-yl]amino]-4-[(4-hydroxyphenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-methylphenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(2-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-nitrophenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(4-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(Z,6R)-6-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-nitrophenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(3-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-4-oxonon-2-enedioic acid

C153H179F3N10O53 — CID 158996453

About (4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-3,6-dioxo-1-phenylheptan-2-yl]amino]-4-[(4-hydroxyphenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-methylphenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(2-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-nitrophenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(4-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(Z,6R)-6-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-nitrophenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(3-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-4-oxonon-2-enedioic acid

(4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-3,6-dioxo-1-phenylheptan-2-yl]amino]-4-[(4-hydroxyphenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-methylphenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(2-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-nitrophenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(4-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(Z,6R)-6-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-nitrophenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(3-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-4-oxonon-2-enedioic acid (PubChem CID 158996453) has the molecular formula C153H179F3N10O53 and a molecular weight of 3063.13 g/mol. Its IUPAC name is (4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-3,6-dioxo-1-phenylheptan-2-yl]amino]-4-[(4-hydroxyphenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-methylphenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(2-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-nitrophenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(4-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(Z,6R)-6-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-nitrophenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(3-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-4-oxonon-2-enedioic acid.

Molecular Properties

• Compound Name: (4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-3,6-dioxo-1-phenylheptan-2-yl]amino]-4-[(4-hydroxyphenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-methylphenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(2-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-nitrophenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(4-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(Z,6R)-6-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-nitrophenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(3-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-4-oxonon-2-enedioic acid
• PubChem CID: 158996453
• Molecular Formula: C153H179F3N10O53
• Molecular Weight: 3063.13 g/mol
• Exact Mass: 3061.16
• IUPAC Name: (4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-3,6-dioxo-1-phenylheptan-2-yl]amino]-4-[(4-hydroxyphenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-methylphenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(2-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-nitrophenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(4-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(Z,6R)-6-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-nitrophenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(3-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-4-oxonon-2-enedioic acid
• SMILES: CC(=O)C(CCC(=O)O)CC(=O)[C@H](Cc1ccc(C)cc1)NC(=O)[C@@H](CC(=O)CNC(=O)[C@H](CCC(=O)O)CC(=O)CCC(=O)O)Cc1ccccc1F.CC(=O)C(CCC(=O)O)CC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@@H](CC(=O)CNC(=O)C(CCC(=O)O)CC(=O)/C=C\C(=O)O)Cc1cccc(F)c1.CC(=O)[C@H](CCC(=O)O)CC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@@H](CC(=O)CNC(=O)[C@H](CCC(=O)O)CC(=O)CCC(=O)O)Cc1ccc(F)cc1.CC(=O)[C@H](CCC(=O)O)CC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)CNC(=O)[C@H](CCC(=O)O)CC(=O)CCC(=O)O)Cc1ccc(O)cc1
• InChI: InChI=1S/C39H47FN2O12.C38H44FN3O14.C38H42FN3O14.C38H46N2O13/c1-23-7-9-25(10-8-23)17-33(34(46)21-26(24(2)43)11-14-35(47)48)42-39(54)29(18-27-5-3-4-6-32(27)40)20-31(45)22-41-38(53)28(12-15-36(49)50)19-30(44)13-16-37(51)52;1-22(43)25(6-13-34(47)48)20-33(46)32(17-24-4-10-29(11-5-24)42(55)56)41-38(54)27(16-23-2-8-28(39)9-3-23)19-31(45)21-40-37(53)26(7-14-35(49)50)18-30(44)12-15-36(51)52;1-22(43)25(7-12-34(47)48)20-33(46)32(17-23-5-9-29(10-6-23)42(55)56)41-38(54)27(15-24-3-2-4-28(39)16-24)19-31(45)21-40-37(53)26(8-13-35(49)50)18-30(44)11-14-36(51)52;1-23(41)26(9-14-34(46)47)21-33(45)32(18-24-5-3-2-4-6-24)40-38(53)28(17-25-7-11-29(42)12-8-25)20-31(44)22-39-37(52)27(10-15-35(48)49)19-30(43)13-16-36(50)51/h3-10,26,28-29,33H,11-22H2,1-2H3,(H,41,53)(H,42,54)(H,47,48)(H,49,50)(H,51,52);2-5,8-11,25-27,32H,6-7,12-21H2,1H3,(H,40,53)(H,41,54)(H,47,48)(H,49,50)(H,51,52);2-6,9-11,14,16,25-27,32H,7-8,12-13,15,17-21H2,1H3,(H,40,53)(H,41,54)(H,47,48)(H,49,50)(H,51,52);2-8,11-12,26-28,32,42H,9-10,13-22H2,1H3,(H,39,52)(H,40,53)(H,46,47)(H,48,49)(H,50,51)/b;;14-11-;/t26?,28-,29-,33+;25-,26-,27-,32+;25?,26?,27-,32+;26-,27-,28-,32+/m1111/s1
• InChIKey: JQUJDDXUBITKKP-SDXKIURNSA-N
• XLogP: 11.95
• TPSA: 1060.03 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 41
• Rotatable Bonds: 105
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3063.13
LogP ≤ 5	11.95
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-3,6-dioxo-1-phenylheptan-2-yl]amino]-4-[(4-hydroxyphenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-methylphenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(2-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-nitrophenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(4-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(Z,6R)-6-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-nitrophenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(3-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-4-oxonon-2-enedioic acid?

The IUPAC name of (4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-3,6-dioxo-1-phenylheptan-2-yl]amino]-4-[(4-hydroxyphenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-methylphenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(2-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-nitrophenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(4-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(Z,6R)-6-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-nitrophenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(3-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-4-oxonon-2-enedioic acid (CID 158996453) is (4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-3,6-dioxo-1-phenylheptan-2-yl]amino]-4-[(4-hydroxyphenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-methylphenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(2-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-nitrophenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(4-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(Z,6R)-6-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-nitrophenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(3-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-4-oxonon-2-enedioic acid.

What is the SMILES notation for (4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-3,6-dioxo-1-phenylheptan-2-yl]amino]-4-[(4-hydroxyphenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-methylphenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(2-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-nitrophenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(4-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(Z,6R)-6-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-nitrophenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(3-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-4-oxonon-2-enedioic acid?

The canonical SMILES for (4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-3,6-dioxo-1-phenylheptan-2-yl]amino]-4-[(4-hydroxyphenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-methylphenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(2-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-nitrophenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(4-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(Z,6R)-6-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-nitrophenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(3-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-4-oxonon-2-enedioic acid is CC(=O)C(CCC(=O)O)CC(=O)[C@H](Cc1ccc(C)cc1)NC(=O)[C@@H](CC(=O)CNC(=O)[C@H](CCC(=O)O)CC(=O)CCC(=O)O)Cc1ccccc1F.CC(=O)C(CCC(=O)O)CC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@@H](CC(=O)CNC(=O)C(CCC(=O)O)CC(=O)/C=C\C(=O)O)Cc1cccc(F)c1.CC(=O)[C@H](CCC(=O)O)CC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@@H](CC(=O)CNC(=O)[C@H](CCC(=O)O)CC(=O)CCC(=O)O)Cc1ccc(F)cc1.CC(=O)[C@H](CCC(=O)O)CC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)CNC(=O)[C@H](CCC(=O)O)CC(=O)CCC(=O)O)Cc1ccc(O)cc1.

What is the InChIKey of (4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-3,6-dioxo-1-phenylheptan-2-yl]amino]-4-[(4-hydroxyphenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-methylphenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(2-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-nitrophenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(4-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(Z,6R)-6-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-nitrophenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(3-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-4-oxonon-2-enedioic acid?

The InChIKey is JQUJDDXUBITKKP-SDXKIURNSA-N. The full InChI is InChI=1S/C39H47FN2O12.C38H44FN3O14.C38H42FN3O14.C38H46N2O13/c1-23-7-9-25(10-8-23)17-33(34(46)21-26(24(2)43)11-14-35(47)48)42-39(54)29(18-27-5-3-4-6-32(27)40)20-31(45)22-41-38(53)28(12-15-36(49)50)19-30(44)13-16-37(51)52;1-22(43)25(6-13-34(47)48)20-33(46)32(17-24-4-10-29(11-5-24)42(55)56)41-38(54)27(16-23-2-8-28(39)9-3-23)19-31(45)21-40-37(53)26(7-14-35(49)50)18-30(44)12-15-36(51)52;1-22(43)25(7-12-34(47)48)20-33(46)32(17-23-5-9-29(10-6-23)42(55)56)41-38(54)27(15-24-3-2-4-28(39)16-24)19-31(45)21-40-37(53)26(8-13-35(49)50)18-30(44)11-14-36(51)52;1-23(41)26(9-14-34(46)47)21-33(45)32(18-24-5-3-2-4-6-24)40-38(53)28(17-25-7-11-29(42)12-8-25)20-31(44)22-39-37(52)27(10-15-35(48)49)19-30(43)13-16-36(50)51/h3-10,26,28-29,33H,11-22H2,1-2H3,(H,41,53)(H,42,54)(H,47,48)(H,49,50)(H,51,52);2-5,8-11,25-27,32H,6-7,12-21H2,1H3,(H,40,53)(H,41,54)(H,47,48)(H,49,50)(H,51,52);2-6,9-11,14,16,25-27,32H,7-8,12-13,15,17-21H2,1H3,(H,40,53)(H,41,54)(H,47,48)(H,49,50)(H,51,52);2-8,11-12,26-28,32,42H,9-10,13-22H2,1H3,(H,39,52)(H,40,53)(H,46,47)(H,48,49)(H,50,51)/b;;14-11-;/t26?,28-,29-,33+;25-,26-,27-,32+;25?,26?,27-,32+;26-,27-,28-,32+/m1111/s1.

What are the key properties of (4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-3,6-dioxo-1-phenylheptan-2-yl]amino]-4-[(4-hydroxyphenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-methylphenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(2-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-nitrophenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(4-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(Z,6R)-6-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-nitrophenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(3-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-4-oxonon-2-enedioic acid?

(4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-3,6-dioxo-1-phenylheptan-2-yl]amino]-4-[(4-hydroxyphenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-methylphenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(2-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-nitrophenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(4-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(Z,6R)-6-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-nitrophenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(3-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-4-oxonon-2-enedioic acid has a molecular weight of 3063.13 g/mol, XLogP of 11.95, 105 rotatable bonds, 21 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-3,6-dioxo-1-phenylheptan-2-yl]amino]-4-[(4-hydroxyphenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-methylphenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(2-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(4R)-4-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-nitrophenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(4-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-6-oxononanedioic acid;(Z,6R)-6-[[(4R)-5-[[(2S,5R)-5-(2-carboxyethyl)-1-(4-nitrophenyl)-3,6-dioxoheptan-2-yl]amino]-4-[(3-fluorophenyl)methyl]-2,5-dioxopentyl]carbamoyl]-4-oxonon-2-enedioic acid is sourced from PubChem (CID 158996453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).