(2S)-2-[(5-chloranyl-1-methyl-indol-2-yl)carbonylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[(5-chloranyl-1-methyl-indol-2-yl)carbonylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[(5-chloro-1-methyl-indole-2-carbonyl)amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[(5-chloro-1-methyl-2-indolyl)-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[(5-chloro-1-methyl-indole-2-carbonyl)amino]-3-methyl-butyric acid Formula: C15H17ClN2O3 MolecularWeight: 308.76008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=CC2=C(N1C)C=CC(=C2)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)C1=CC2=C(N1C)C=CC(=C2)Cl

InChI

InChI=1S/C15H17ClN2O3/c1-8(2)13(15(20)21)17-14(19)12-7-9-6-10(16)4-5-11(9)18(12)3/h4-8,13H,1-3H3,(H,17,19)(H,20,21)/t13-/m0/s1