(2S)-2-[(1,5-dimethylindol-2-yl)carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[(1,5-dimethylindol-2-yl)carbonylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[(1,5-dimethylindole-2-carbonyl)amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[(1,5-dimethyl-2-indolyl)-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[(1,5-dimethylindole-2-carbonyl)amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[(1,5-dimethylindole-2-carbonyl)amino]-3-phenyl-propionic acid Formula: C20H20N2O3 MolecularWeight: 336.3844

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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)O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)C

InChI

InChI=1S/C20H20N2O3/c1-13-8-9-17-15(10-13)12-18(22(17)2)19(23)21-16(20(24)25)11-14-6-4-3-5-7-14/h3-10,12,16H,11H2,1-2H3,(H,21,23)(H,24,25)/t16-/m0/s1