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

Systemtic Name: 4-[[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]methyl]benzoic acid Openeye Name: 4-[[[2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]methyl]benzoic acid CAS Name: 4-[[[3-(1H-indol-3-yl)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]methyl]benzoic acid Formula: C27H25N3O5 MolecularWeight: 471.5045

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C27H25N3O5/c31-25(29-15-18-10-12-20(13-11-18)26(32)33)24(14-21-16-28-23-9-5-4-8-22(21)23)30-27(34)35-17-19-6-2-1-3-7-19/h1-13,16,24,28H,14-15,17H2,(H,29,31)(H,30,34)(H,32,33)