3-[[4-(2-ethylphenyl)-1H-indol-2-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[[4-(2-ethylphenyl)-1H-indol-2-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[[4-(2-ethylphenyl)-1H-indole-2-carbonyl]amino]propanoic acid CAS Name: 3-[[[4-(2-ethylphenyl)-1H-indol-2-yl]-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[[4-(2-ethylphenyl)-1H-indole-2-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[[4-(2-ethylphenyl)-1H-indole-2-carbonyl]amino]propionic acid Formula: C28H27N3O5 MolecularWeight: 485.53108

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C2=C3C=C(NC3=CC=C2)C(=O)NCC(C(=O)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=CC=C1C2=C3C=C(NC3=CC=C2)C(=O)NCC(C(=O)O)NC(=O)OCC4=CC=CC=C4

InChI

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