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

Systemtic Name: 2-[[2-[(1,5-dimethylindol-2-yl)carbonylamino]-3-methyl-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[(1,5-dimethylindole-2-carbonyl)amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[(1,5-dimethyl-2-indolyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[(1,5-dimethylindole-2-carbonyl)amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[(1,5-dimethylindole-2-carbonyl)amino]-3-methyl-butanoyl]amino]-4-methyl-valeric acid Formula: C22H31N3O4 MolecularWeight: 401.49924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O4/c1-12(2)9-16(22(28)29)23-21(27)19(13(3)4)24-20(26)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)