2-[[2-[(1,5-dimethylindol-2-yl)carbonylamino]-3-phenyl-propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-[(1,5-dimethylindol-2-yl)carbonylamino]-3-phenyl-propanoyl]amino]ethanoic acid Openeye Name: 2-[[2-[(1,5-dimethylindole-2-carbonyl)amino]-3-phenyl-propanoyl]amino]acetic acid CAS Name: 2-[[2-[[(1,5-dimethyl-2-indolyl)-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]acetic acid IUPAC Name: 2-[[2-[(1,5-dimethylindole-2-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid Traditional Name: 2-[[2-[(1,5-dimethylindole-2-carbonyl)amino]-3-phenyl-propanoyl]amino]acetic acid Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)NCC(=O)O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)NCC(=O)O)C

InChI

InChI=1S/C22H23N3O4/c1-14-8-9-18-16(10-14)12-19(25(18)2)22(29)24-17(21(28)23-13-20(26)27)11-15-6-4-3-5-7-15/h3-10,12,17H,11,13H2,1-2H3,(H,23,28)(H,24,29)(H,26,27)