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

Systemtic Name: 4-azanyl-2-ethyl-3-[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]benzoic acid Openeye Name: 4-amino-3-[2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]-2-ethyl-benzoic acid CAS Name: 4-amino-2-ethyl-3-[3-(1H-indol-3-yl)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]benzoic acid IUPAC Name: 4-amino-2-ethyl-3-[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]benzoic acid Traditional Name: 4-amino-3-[2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]-2-ethyl-benzoic acid Formula: C28H27N3O5 MolecularWeight: 485.53108

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4)N)C(=O)O

Isomeric SMILES

CCC1=C(C=CC(=C1C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4)N)C(=O)O

InChI

InChI=1S/C28H27N3O5/c1-2-19-21(27(33)34)12-13-22(29)25(19)26(32)24(14-18-15-30-23-11-7-6-10-20(18)23)31-28(35)36-16-17-8-4-3-5-9-17/h3-13,15,24,30H,2,14,16,29H2,1H3,(H,31,35)(H,33,34)