3-[2-(2-azanyl-4-methyl-pentanoyl)phenyl]-2-[(2-formamido-4-methylsulfanyl-butanoyl)amino]propanoic acid

Systemtic Name: 3-[2-(2-azanyl-4-methyl-pentanoyl)phenyl]-2-[(2-formamido-4-methylsulfanyl-butanoyl)amino]propanoic acid Openeye Name: 3-[2-(2-amino-4-methyl-pentanoyl)phenyl]-2-[(2-formamido-4-methylsulfanyl-butanoyl)amino]propanoic acid CAS Name: 3-[2-(2-amino-4-methyl-1-oxopentyl)phenyl]-2-[[2-formamido-4-(methylthio)-1-oxobutyl]amino]propanoic acid IUPAC Name: 3-[2-(2-amino-4-methylpentanoyl)phenyl]-2-[(2-formamido-4-methylsulfanylbutanoyl)amino]propanoic acid Traditional Name: 3-[2-(2-amino-4-methyl-pentanoyl)phenyl]-2-[[2-formamido-4-(methylthio)butanoyl]amino]propionic acid Formula: C21H31N3O5S MolecularWeight: 437.55294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C1=CC=CC=C1CC(C(=O)O)NC(=O)C(CCSC)NC=O)N

Isomeric SMILES

CC(C)CC(C(=O)C1=CC=CC=C1CC(C(=O)O)NC(=O)C(CCSC)NC=O)N

InChI

InChI=1S/C21H31N3O5S/c1-13(2)10-16(22)19(26)15-7-5-4-6-14(15)11-18(21(28)29)24-20(27)17(23-12-25)8-9-30-3/h4-7,12-13,16-18H,8-11,22H2,1-3H3,(H,23,25)(H,24,27)(H,28,29)