2-[4-[(2S,4R)-1-[2-[4-[(2-aminophenyl)carbamoylamino]-3-methoxyphenyl]acetyl]-4-hydroxypyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[4-[(2S,4R)-4-hydroxy-1-[2-[4-[(2-hydroxyphenyl)carbamoylamino]-3-methoxyphenyl]acetyl]pyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[4-[(2S,4R)-4-methoxy-1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]pyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[1-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]piperidin-4-yl]acetic acid;2-[1-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-2,3-dihydroindole-2-carbonyl]piperidin-4-yl]acetic acid;2-[4-[2-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazin-1-yl]acetic acid

C182H219N29O40 — CID 159239725

About 2-[4-[(2S,4R)-1-[2-[4-[(2-aminophenyl)carbamoylamino]-3-methoxyphenyl]acetyl]-4-hydroxypyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[4-[(2S,4R)-4-hydroxy-1-[2-[4-[(2-hydroxyphenyl)carbamoylamino]-3-methoxyphenyl]acetyl]pyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[4-[(2S,4R)-4-methoxy-1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]pyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[1-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]piperidin-4-yl]acetic acid;2-[1-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-2,3-dihydroindole-2-carbonyl]piperidin-4-yl]acetic acid;2-[4-[2-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazin-1-yl]acetic acid

2-[4-[(2S,4R)-1-[2-[4-[(2-aminophenyl)carbamoylamino]-3-methoxyphenyl]acetyl]-4-hydroxypyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[4-[(2S,4R)-4-hydroxy-1-[2-[4-[(2-hydroxyphenyl)carbamoylamino]-3-methoxyphenyl]acetyl]pyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[4-[(2S,4R)-4-methoxy-1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]pyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[1-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]piperidin-4-yl]acetic acid;2-[1-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-2,3-dihydroindole-2-carbonyl]piperidin-4-yl]acetic acid;2-[4-[2-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazin-1-yl]acetic acid (PubChem CID 159239725) has the molecular formula C182H219N29O40 and a molecular weight of 3452.92 g/mol. Its IUPAC name is 2-[4-[(2S,4R)-1-[2-[4-[(2-aminophenyl)carbamoylamino]-3-methoxyphenyl]acetyl]-4-hydroxypyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[4-[(2S,4R)-4-hydroxy-1-[2-[4-[(2-hydroxyphenyl)carbamoylamino]-3-methoxyphenyl]acetyl]pyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[4-[(2S,4R)-4-methoxy-1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]pyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[1-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]piperidin-4-yl]acetic acid;2-[1-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-2,3-dihydroindole-2-carbonyl]piperidin-4-yl]acetic acid;2-[4-[2-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazin-1-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[4-[(2S,4R)-1-[2-[4-[(2-aminophenyl)carbamoylamino]-3-methoxyphenyl]acetyl]-4-hydroxypyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[4-[(2S,4R)-4-hydroxy-1-[2-[4-[(2-hydroxyphenyl)carbamoylamino]-3-methoxyphenyl]acetyl]pyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[4-[(2S,4R)-4-methoxy-1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]pyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[1-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]piperidin-4-yl]acetic acid;2-[1-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-2,3-dihydroindole-2-carbonyl]piperidin-4-yl]acetic acid;2-[4-[2-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazin-1-yl]acetic acid
• PubChem CID: 159239725
• Molecular Formula: C182H219N29O40
• Molecular Weight: 3452.92 g/mol
• Exact Mass: 3450.60
• IUPAC Name: 2-[4-[(2S,4R)-1-[2-[4-[(2-aminophenyl)carbamoylamino]-3-methoxyphenyl]acetyl]-4-hydroxypyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[4-[(2S,4R)-4-hydroxy-1-[2-[4-[(2-hydroxyphenyl)carbamoylamino]-3-methoxyphenyl]acetyl]pyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[4-[(2S,4R)-4-methoxy-1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]pyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[1-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]piperidin-4-yl]acetic acid;2-[1-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-2,3-dihydroindole-2-carbonyl]piperidin-4-yl]acetic acid;2-[4-[2-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazin-1-yl]acetic acid
• SMILES: COc1cc(CC(=O)N2C(C(=O)N3CCC(CC(=O)O)CC3)CC3CCCCC32)ccc1NC(=O)Nc1ccccc1C.COc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)N2CCN(CC(=O)O)CC2)ccc1NC(=O)Nc1ccccc1N.COc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)N2CCN(CC(=O)O)CC2)ccc1NC(=O)Nc1ccccc1O.COc1cc(CC(=O)N2C[C@H](OC)C[C@H]2C(=O)N2CCN(CC(=O)O)CC2)ccc1NC(=O)Nc1ccccc1C.COc1cc(CC(=O)N2Cc3ccccc3CC2C(=O)N2CCN(CC(=O)O)CC2)ccc1NC(=O)Nc1ccccc1C.COc1cc(CC(=O)N2c3ccccc3CC2C(=O)N2CCC(CC(=O)O)CC2)ccc1NC(=O)Nc1ccccc1C
• InChI: InChI=1S/C33H37N5O6.C33H42N4O6.C33H36N4O6.C29H37N5O7.C27H34N6O7.C27H33N5O8/c1-22-7-3-6-10-26(22)34-33(43)35-27-12-11-23(17-29(27)44-2)18-30(39)38-20-25-9-5-4-8-24(25)19-28(38)32(42)37-15-13-36(14-16-37)21-31(40)41;2*1-21-7-3-5-9-25(21)34-33(42)35-26-12-11-23(17-29(26)43-2)18-30(38)37-27-10-6-4-8-24(27)20-28(37)32(41)36-15-13-22(14-16-36)19-31(39)40;1-19-6-4-5-7-22(19)30-29(39)31-23-9-8-20(14-25(23)41-3)15-26(35)34-17-21(40-2)16-24(34)28(38)33-12-10-32(11-13-33)18-27(36)37;1-40-23-12-17(6-7-21(23)30-27(39)29-20-5-3-2-4-19(20)28)13-24(35)33-15-18(34)14-22(33)26(38)32-10-8-31(9-11-32)16-25(36)37;1-40-23-12-17(6-7-20(23)29-27(39)28-19-4-2-3-5-22(19)34)13-24(35)32-15-18(33)14-21(32)26(38)31-10-8-30(9-11-31)16-25(36)37/h3-12,17,28H,13-16,18-21H2,1-2H3,(H,40,41)(H2,34,35,43);3,5,7,9,11-12,17,22,24,27-28H,4,6,8,10,13-16,18-20H2,1-2H3,(H,39,40)(H2,34,35,42);3-12,17,22,28H,13-16,18-20H2,1-2H3,(H,39,40)(H2,34,35,42);4-9,14,21,24H,10-13,15-18H2,1-3H3,(H,36,37)(H2,30,31,39);2-7,12,18,22,34H,8-11,13-16,28H2,1H3,(H,36,37)(H2,29,30,39);2-7,12,18,21,33-34H,8-11,13-16H2,1H3,(H,36,37)(H2,28,29,39)/t;;;21-,24+;18-,22+;18-,21+/m...111/s1
• InChIKey: KTXSTEJGNAKRLI-ULOJZWDZSA-N
• XLogP: 16.76
• TPSA: 878.58 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 39
• Rotatable Bonds: 49
• Heavy Atoms: 251
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3452.92
LogP ≤ 5	16.76
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S,4R)-1-[2-[4-[(2-aminophenyl)carbamoylamino]-3-methoxyphenyl]acetyl]-4-hydroxypyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[4-[(2S,4R)-4-hydroxy-1-[2-[4-[(2-hydroxyphenyl)carbamoylamino]-3-methoxyphenyl]acetyl]pyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[4-[(2S,4R)-4-methoxy-1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]pyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[1-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]piperidin-4-yl]acetic acid;2-[1-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-2,3-dihydroindole-2-carbonyl]piperidin-4-yl]acetic acid;2-[4-[2-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazin-1-yl]acetic acid?

The IUPAC name of 2-[4-[(2S,4R)-1-[2-[4-[(2-aminophenyl)carbamoylamino]-3-methoxyphenyl]acetyl]-4-hydroxypyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[4-[(2S,4R)-4-hydroxy-1-[2-[4-[(2-hydroxyphenyl)carbamoylamino]-3-methoxyphenyl]acetyl]pyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[4-[(2S,4R)-4-methoxy-1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]pyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[1-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]piperidin-4-yl]acetic acid;2-[1-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-2,3-dihydroindole-2-carbonyl]piperidin-4-yl]acetic acid;2-[4-[2-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazin-1-yl]acetic acid (CID 159239725) is 2-[4-[(2S,4R)-1-[2-[4-[(2-aminophenyl)carbamoylamino]-3-methoxyphenyl]acetyl]-4-hydroxypyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[4-[(2S,4R)-4-hydroxy-1-[2-[4-[(2-hydroxyphenyl)carbamoylamino]-3-methoxyphenyl]acetyl]pyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[4-[(2S,4R)-4-methoxy-1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]pyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[1-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]piperidin-4-yl]acetic acid;2-[1-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-2,3-dihydroindole-2-carbonyl]piperidin-4-yl]acetic acid;2-[4-[2-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazin-1-yl]acetic acid.

What is the SMILES notation for 2-[4-[(2S,4R)-1-[2-[4-[(2-aminophenyl)carbamoylamino]-3-methoxyphenyl]acetyl]-4-hydroxypyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[4-[(2S,4R)-4-hydroxy-1-[2-[4-[(2-hydroxyphenyl)carbamoylamino]-3-methoxyphenyl]acetyl]pyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[4-[(2S,4R)-4-methoxy-1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]pyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[1-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]piperidin-4-yl]acetic acid;2-[1-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-2,3-dihydroindole-2-carbonyl]piperidin-4-yl]acetic acid;2-[4-[2-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazin-1-yl]acetic acid?

The canonical SMILES for 2-[4-[(2S,4R)-1-[2-[4-[(2-aminophenyl)carbamoylamino]-3-methoxyphenyl]acetyl]-4-hydroxypyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[4-[(2S,4R)-4-hydroxy-1-[2-[4-[(2-hydroxyphenyl)carbamoylamino]-3-methoxyphenyl]acetyl]pyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[4-[(2S,4R)-4-methoxy-1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]pyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[1-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]piperidin-4-yl]acetic acid;2-[1-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-2,3-dihydroindole-2-carbonyl]piperidin-4-yl]acetic acid;2-[4-[2-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazin-1-yl]acetic acid is COc1cc(CC(=O)N2C(C(=O)N3CCC(CC(=O)O)CC3)CC3CCCCC32)ccc1NC(=O)Nc1ccccc1C.COc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)N2CCN(CC(=O)O)CC2)ccc1NC(=O)Nc1ccccc1N.COc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)N2CCN(CC(=O)O)CC2)ccc1NC(=O)Nc1ccccc1O.COc1cc(CC(=O)N2C[C@H](OC)C[C@H]2C(=O)N2CCN(CC(=O)O)CC2)ccc1NC(=O)Nc1ccccc1C.COc1cc(CC(=O)N2Cc3ccccc3CC2C(=O)N2CCN(CC(=O)O)CC2)ccc1NC(=O)Nc1ccccc1C.COc1cc(CC(=O)N2c3ccccc3CC2C(=O)N2CCC(CC(=O)O)CC2)ccc1NC(=O)Nc1ccccc1C.

What is the InChIKey of 2-[4-[(2S,4R)-1-[2-[4-[(2-aminophenyl)carbamoylamino]-3-methoxyphenyl]acetyl]-4-hydroxypyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[4-[(2S,4R)-4-hydroxy-1-[2-[4-[(2-hydroxyphenyl)carbamoylamino]-3-methoxyphenyl]acetyl]pyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[4-[(2S,4R)-4-methoxy-1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]pyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[1-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]piperidin-4-yl]acetic acid;2-[1-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-2,3-dihydroindole-2-carbonyl]piperidin-4-yl]acetic acid;2-[4-[2-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazin-1-yl]acetic acid?

The InChIKey is KTXSTEJGNAKRLI-ULOJZWDZSA-N. The full InChI is InChI=1S/C33H37N5O6.C33H42N4O6.C33H36N4O6.C29H37N5O7.C27H34N6O7.C27H33N5O8/c1-22-7-3-6-10-26(22)34-33(43)35-27-12-11-23(17-29(27)44-2)18-30(39)38-20-25-9-5-4-8-24(25)19-28(38)32(42)37-15-13-36(14-16-37)21-31(40)41;2*1-21-7-3-5-9-25(21)34-33(42)35-26-12-11-23(17-29(26)43-2)18-30(38)37-27-10-6-4-8-24(27)20-28(37)32(41)36-15-13-22(14-16-36)19-31(39)40;1-19-6-4-5-7-22(19)30-29(39)31-23-9-8-20(14-25(23)41-3)15-26(35)34-17-21(40-2)16-24(34)28(38)33-12-10-32(11-13-33)18-27(36)37;1-40-23-12-17(6-7-21(23)30-27(39)29-20-5-3-2-4-19(20)28)13-24(35)33-15-18(34)14-22(33)26(38)32-10-8-31(9-11-32)16-25(36)37;1-40-23-12-17(6-7-20(23)29-27(39)28-19-4-2-3-5-22(19)34)13-24(35)32-15-18(33)14-21(32)26(38)31-10-8-30(9-11-31)16-25(36)37/h3-12,17,28H,13-16,18-21H2,1-2H3,(H,40,41)(H2,34,35,43);3,5,7,9,11-12,17,22,24,27-28H,4,6,8,10,13-16,18-20H2,1-2H3,(H,39,40)(H2,34,35,42);3-12,17,22,28H,13-16,18-20H2,1-2H3,(H,39,40)(H2,34,35,42);4-9,14,21,24H,10-13,15-18H2,1-3H3,(H,36,37)(H2,30,31,39);2-7,12,18,22,34H,8-11,13-16,28H2,1H3,(H,36,37)(H2,29,30,39);2-7,12,18,21,33-34H,8-11,13-16H2,1H3,(H,36,37)(H2,28,29,39)/t;;;21-,24+;18-,22+;18-,21+/m...111/s1.

What are the key properties of 2-[4-[(2S,4R)-1-[2-[4-[(2-aminophenyl)carbamoylamino]-3-methoxyphenyl]acetyl]-4-hydroxypyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[4-[(2S,4R)-4-hydroxy-1-[2-[4-[(2-hydroxyphenyl)carbamoylamino]-3-methoxyphenyl]acetyl]pyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[4-[(2S,4R)-4-methoxy-1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]pyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[1-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]piperidin-4-yl]acetic acid;2-[1-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-2,3-dihydroindole-2-carbonyl]piperidin-4-yl]acetic acid;2-[4-[2-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazin-1-yl]acetic acid?

2-[4-[(2S,4R)-1-[2-[4-[(2-aminophenyl)carbamoylamino]-3-methoxyphenyl]acetyl]-4-hydroxypyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[4-[(2S,4R)-4-hydroxy-1-[2-[4-[(2-hydroxyphenyl)carbamoylamino]-3-methoxyphenyl]acetyl]pyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[4-[(2S,4R)-4-methoxy-1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]pyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[1-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]piperidin-4-yl]acetic acid;2-[1-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-2,3-dihydroindole-2-carbonyl]piperidin-4-yl]acetic acid;2-[4-[2-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazin-1-yl]acetic acid has a molecular weight of 3452.92 g/mol, XLogP of 16.76, 49 rotatable bonds, 22 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(2S,4R)-1-[2-[4-[(2-aminophenyl)carbamoylamino]-3-methoxyphenyl]acetyl]-4-hydroxypyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[4-[(2S,4R)-4-hydroxy-1-[2-[4-[(2-hydroxyphenyl)carbamoylamino]-3-methoxyphenyl]acetyl]pyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[4-[(2S,4R)-4-methoxy-1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]pyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[1-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]piperidin-4-yl]acetic acid;2-[1-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-2,3-dihydroindole-2-carbonyl]piperidin-4-yl]acetic acid;2-[4-[2-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 159239725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).