2-(4-aminophenyl)-5-(1H-indol-3-yl)-3-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: 2-(4-aminophenyl)-5-(1H-indol-3-yl)-3-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 2-(4-aminophenyl)-4-(benzyloxycarbonylamino)-5-(1H-indol-3-yl)-3-oxo-pentanoic acid CAS Name: 2-(4-aminophenyl)-5-(1H-indol-3-yl)-3-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 2-(4-aminophenyl)-5-(1H-indol-3-yl)-3-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 2-(4-aminophenyl)-4-(benzyloxycarbonylamino)-5-(1H-indol-3-yl)-3-keto-valeric acid Formula: C27H25N3O5 MolecularWeight: 471.5045

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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)C(C4=CC=C(C=C4)N)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O5/c28-20-12-10-18(11-13-20)24(26(32)33)25(31)23(14-19-15-29-22-9-5-4-8-21(19)22)30-27(34)35-16-17-6-2-1-3-7-17/h1-13,15,23-24,29H,14,16,28H2,(H,30,34)(H,32,33)