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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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