4-azanyl-2-[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]benzoic acid

Systemtic Name: 4-azanyl-2-[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]benzoic acid Openeye Name: 4-amino-2-[2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]benzoic acid CAS Name: 4-amino-2-[3-(1H-indol-3-yl)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]benzoic acid IUPAC Name: 4-amino-2-[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]benzoic acid Traditional Name: 4-amino-2-[2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]benzoic acid Formula: C26H23N3O5 MolecularWeight: 457.47792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)C4=C(C=CC(=C4)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)C4=C(C=CC(=C4)N)C(=O)O

InChI

InChI=1S/C26H23N3O5/c27-18-10-11-20(25(31)32)21(13-18)24(30)23(12-17-14-28-22-9-5-4-8-19(17)22)29-26(33)34-15-16-6-2-1-3-7-16/h1-11,13-14,23,28H,12,15,27H2,(H,29,33)(H,31,32)