2-[[1-(2-azanylpropanoyl)pyrrolidin-2-yl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[1-(2-azanylpropanoyl)pyrrolidin-2-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[1-(2-amino-1-oxopropyl)-2-pyrrolidinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(1-alanylprolyl)amino]-4-(methylthio)butyric acid Formula: C13H23N3O4S MolecularWeight: 317.40442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)NC(CCSC)C(=O)O)N

Isomeric SMILES

CC(C(=O)N1CCCC1C(=O)NC(CCSC)C(=O)O)N

InChI

InChI=1S/C13H23N3O4S/c1-8(14)12(18)16-6-3-4-10(16)11(17)15-9(13(19)20)5-7-21-2/h8-10H,3-7,14H2,1-2H3,(H,15,17)(H,19,20)