2-[[2-[(1,5-dimethylindol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[2-[(1,5-dimethylindol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[(1,5-dimethylindole-2-carbonyl)amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[[(1,5-dimethyl-2-indolyl)-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[(1,5-dimethylindole-2-carbonyl)amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[(1,5-dimethylindole-2-carbonyl)amino]-4-methyl-pentanoyl]amino]-3-methyl-butyric acid Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)O)C

InChI

InChI=1S/C22H31N3O4/c1-12(2)9-16(20(26)24-19(13(3)4)22(28)29)23-21(27)18-11-15-10-14(5)7-8-17(15)25(18)6/h7-8,10-13,16,19H,9H2,1-6H3,(H,23,27)(H,24,26)(H,28,29)