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

Systemtic Name: 4-azanyl-3-[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]-2-(phenylmethyl)benzoic acid Openeye Name: 4-amino-2-benzyl-3-[2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]benzoic acid CAS Name: 4-amino-3-[3-(1H-indol-3-yl)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]-2-(phenylmethyl)benzoic acid IUPAC Name: 4-amino-2-benzyl-3-[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]benzoic acid Traditional Name: 4-amino-2-benzyl-3-[2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]benzoic acid Formula: C33H29N3O5 MolecularWeight: 547.60046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=CC(=C2C(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)OCC5=CC=CC=C5)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=CC(=C2C(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)OCC5=CC=CC=C5)N)C(=O)O

InChI

InChI=1S/C33H29N3O5/c34-27-16-15-25(32(38)39)26(17-21-9-3-1-4-10-21)30(27)31(37)29(18-23-19-35-28-14-8-7-13-24(23)28)36-33(40)41-20-22-11-5-2-6-12-22/h1-16,19,29,35H,17-18,20,34H2,(H,36,40)(H,38,39)