2-[[6-azanyl-1-[2-(carboxymethyl)-2,3,3a,4,5,7a-hexahydroindol-1-yl]-1-oxidanylidene-hexan-2-yl]amino]-4-(4-chlorophenyl)butanoic acid

Systemtic Name: 2-[[6-azanyl-1-[2-(carboxymethyl)-2,3,3a,4,5,7a-hexahydroindol-1-yl]-1-oxidanylidene-hexan-2-yl]amino]-4-(4-chlorophenyl)butanoic acid Openeye Name: 2-[[5-amino-1-[2-(carboxymethyl)-2,3,3a,4,5,7a-hexahydroindole-1-carbonyl]pentyl]amino]-4-(4-chlorophenyl)butanoic acid CAS Name: 2-[[6-amino-1-[2-(carboxymethyl)-2,3,3a,4,5,7a-hexahydroindol-1-yl]-1-oxohexan-2-yl]amino]-4-(4-chlorophenyl)butanoic acid IUPAC Name: 2-[[6-amino-1-[2-(carboxymethyl)-2,3,3a,4,5,7a-hexahydroindol-1-yl]-1-oxohexan-2-yl]amino]-4-(4-chlorophenyl)butanoic acid Traditional Name: 2-[[5-amino-1-[2-(carboxymethyl)-2,3,3a,4,5,7a-hexahydroindole-1-carbonyl]pentyl]amino]-4-(4-chlorophenyl)butyric acid Formula: C26H36ClN3O5 MolecularWeight: 506.03414

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(N(C2C=C1)C(=O)C(CCCCN)NC(CCC3=CC=C(C=C3)Cl)C(=O)O)CC(=O)O

Isomeric SMILES

C1CC2CC(N(C2C=C1)C(=O)C(CCCCN)NC(CCC3=CC=C(C=C3)Cl)C(=O)O)CC(=O)O

InChI

InChI=1S/C26H36ClN3O5/c27-19-11-8-17(9-12-19)10-13-22(26(34)35)29-21(6-3-4-14-28)25(33)30-20(16-24(31)32)15-18-5-1-2-7-23(18)30/h2,7-9,11-12,18,20-23,29H,1,3-6,10,13-16,28H2,(H,31,32)(H,34,35)