2-[[2-[(1,5-dimethylindol-2-yl)carbonylamino]-3-methyl-butanoyl]amino]-3-methyl-pentanoic acid

Systemtic Name: 2-[[2-[(1,5-dimethylindol-2-yl)carbonylamino]-3-methyl-butanoyl]amino]-3-methyl-pentanoic acid Openeye Name: 2-[[2-[(1,5-dimethylindole-2-carbonyl)amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-[[(1,5-dimethyl-2-indolyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[2-[(1,5-dimethylindole-2-carbonyl)amino]-3-methylbutanoyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[2-[(1,5-dimethylindole-2-carbonyl)amino]-3-methyl-butanoyl]amino]-3-methyl-valeric acid Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O4/c1-7-14(5)19(22(28)29)24-21(27)18(12(2)3)23-20(26)17-11-15-10-13(4)8-9-16(15)25(17)6/h8-12,14,18-19H,7H2,1-6H3,(H,23,26)(H,24,27)(H,28,29)