2-[[1-(2-azanyl-4-methylsulfanyl-butanoyl)piperidin-4-yl]carbonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[[1-(2-azanyl-4-methylsulfanyl-butanoyl)piperidin-4-yl]carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[[1-(2-amino-4-methylsulfanyl-butanoyl)piperidine-4-carbonyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[[1-[2-amino-4-(methylthio)-1-oxobutyl]-4-piperidinyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[1-(2-amino-4-methylsulfanylbutanoyl)piperidine-4-carbonyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[1-[2-amino-4-(methylthio)butanoyl]isonipecotoyl]amino]-3-methyl-butyric acid Formula: C16H29N3O4S MolecularWeight: 359.48416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1CCN(CC1)C(=O)C(CCSC)N

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C1CCN(CC1)C(=O)C(CCSC)N

InChI

InChI=1S/C16H29N3O4S/c1-10(2)13(16(22)23)18-14(20)11-4-7-19(8-5-11)15(21)12(17)6-9-24-3/h10-13H,4-9,17H2,1-3H3,(H,18,20)(H,22,23)