(2S)-2-[(1,5-dimethylindol-2-yl)carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[(1,5-dimethylindol-2-yl)carbonylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[(1,5-dimethylindole-2-carbonyl)amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(1,5-dimethyl-2-indolyl)-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[(1,5-dimethylindole-2-carbonyl)amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[(1,5-dimethylindole-2-carbonyl)amino]-4-methyl-valeric acid Formula: C17H22N2O3 MolecularWeight: 302.36818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3/c1-10(2)7-13(17(21)22)18-16(20)15-9-12-8-11(3)5-6-14(12)19(15)4/h5-6,8-10,13H,7H2,1-4H3,(H,18,20)(H,21,22)/t13-/m0/s1