(2S)-2-[(5-chloranyl-1-methyl-indol-2-yl)carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[(5-chloranyl-1-methyl-indol-2-yl)carbonylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[(5-chloro-1-methyl-indole-2-carbonyl)amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(5-chloro-1-methyl-2-indolyl)-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[(5-chloro-1-methyl-indole-2-carbonyl)amino]-4-methyl-valeric acid Formula: C16H19ClN2O3 MolecularWeight: 322.78666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN2O3/c1-9(2)6-12(16(21)22)18-15(20)14-8-10-7-11(17)4-5-13(10)19(14)3/h4-5,7-9,12H,6H2,1-3H3,(H,18,20)(H,21,22)/t12-/m0/s1