2-[[(2S)-2-[(4,6-dimethoxy-1-methyl-indol-2-yl)carbonylamino]-3-methyl-butanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2S)-2-[(4,6-dimethoxy-1-methyl-indol-2-yl)carbonylamino]-3-methyl-butanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S)-2-[(4,6-dimethoxy-1-methyl-indole-2-carbonyl)amino]-3-methyl-butanoyl]amino]acetic acid CAS Name: 2-[[(2S)-2-[[(4,6-dimethoxy-1-methyl-2-indolyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]acetic acid IUPAC Name: 2-[[(2S)-2-[(4,6-dimethoxy-1-methylindole-2-carbonyl)amino]-3-methylbutanoyl]amino]acetic acid Traditional Name: 2-[[(2S)-2-[(4,6-dimethoxy-1-methyl-indole-2-carbonyl)amino]-3-methyl-butanoyl]amino]acetic acid Formula: C19H25N3O6 MolecularWeight: 391.4183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(=O)O)NC(=O)C1=CC2=C(C=C(C=C2N1C)OC)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC(=O)O)NC(=O)C1=CC2=C(C=C(C=C2N1C)OC)OC

InChI

InChI=1S/C19H25N3O6/c1-10(2)17(19(26)20-9-16(23)24)21-18(25)14-8-12-13(22(14)3)6-11(27-4)7-15(12)28-5/h6-8,10,17H,9H2,1-5H3,(H,20,26)(H,21,25)(H,23,24)/t17-/m0/s1