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

Systemtic Name: 2-[[(2S)-2-[(5-chloranyl-1-methyl-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S)-2-[(5-chloro-1-methyl-indole-2-carbonyl)amino]-4-methyl-pentanoyl]amino]acetic acid CAS Name: 2-[[(2S)-2-[[(5-chloro-1-methyl-2-indolyl)-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]acetic acid IUPAC Name: 2-[[(2S)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]-4-methylpentanoyl]amino]acetic acid Traditional Name: 2-[[(2S)-2-[(5-chloro-1-methyl-indole-2-carbonyl)amino]-4-methyl-pentanoyl]amino]acetic acid Formula: C18H22ClN3O4 MolecularWeight: 379.83798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN3O4/c1-10(2)6-13(17(25)20-9-16(23)24)21-18(26)15-8-11-7-12(19)4-5-14(11)22(15)3/h4-5,7-8,10,13H,6,9H2,1-3H3,(H,20,25)(H,21,26)(H,23,24)/t13-/m0/s1