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

Systemtic Name: 2-[[(2S)-2-[(5-chloranyl-1-methyl-indol-2-yl)carbonylamino]-3-methyl-butanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S)-2-[(5-chloro-1-methyl-indole-2-carbonyl)amino]-3-methyl-butanoyl]amino]acetic acid CAS Name: 2-[[(2S)-2-[[(5-chloro-1-methyl-2-indolyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]acetic acid IUPAC Name: 2-[[(2S)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]-3-methylbutanoyl]amino]acetic acid Traditional Name: 2-[[(2S)-2-[(5-chloro-1-methyl-indole-2-carbonyl)amino]-3-methyl-butanoyl]amino]acetic acid Formula: C17H20ClN3O4 MolecularWeight: 365.8114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O4/c1-9(2)15(17(25)19-8-14(22)23)20-16(24)13-7-10-6-11(18)4-5-12(10)21(13)3/h4-7,9,15H,8H2,1-3H3,(H,19,25)(H,20,24)(H,22,23)/t15-/m0/s1