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

Systemtic Name: 3-[[4-(2-ethylphenyl)-1-methyl-indol-2-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[[4-(2-ethylphenyl)-1-methyl-indole-2-carbonyl]amino]propanoic acid CAS Name: 3-[[[4-(2-ethylphenyl)-1-methyl-2-indolyl]-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[[4-(2-ethylphenyl)-1-methylindole-2-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[[4-(2-ethylphenyl)-1-methyl-indole-2-carbonyl]amino]propionic acid Formula: C29H29N3O5 MolecularWeight: 499.55766

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C2=C3C=C(N(C3=CC=C2)C)C(=O)NCC(C(=O)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=CC=C1C2=C3C=C(N(C3=CC=C2)C)C(=O)NCC(C(=O)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H29N3O5/c1-3-20-12-7-8-13-21(20)22-14-9-15-25-23(22)16-26(32(25)2)27(33)30-17-24(28(34)35)31-29(36)37-18-19-10-5-4-6-11-19/h4-16,24H,3,17-18H2,1-2H3,(H,30,33)(H,31,36)(H,34,35)