[1-[[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-3-methyl-pentanoyl]amino]-3-methyl-pentyl] 2-azanyl-4-methylsulfanyl-butanoate

Systemtic Name: [1-[[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-3-methyl-pentanoyl]amino]-3-methyl-pentyl] 2-azanyl-4-methylsulfanyl-butanoate Openeye Name: [1-[[2-[(2-amino-3-sulfanyl-propanoyl)amino]-3-methyl-pentanoyl]amino]-3-methyl-pentyl] 2-amino-4-methylsulfanyl-butanoate CAS Name: 2-amino-4-(methylthio)butanoic acid [1-[[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-3-methyl-1-oxopentyl]amino]-3-methylpentyl] ester IUPAC Name: [1-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-3-methylpentanoyl]amino]-3-methylpentyl] 2-amino-4-methylsulfanylbutanoate Traditional Name: 2-amino-4-(methylthio)butyric acid [1-[[2-[(2-amino-3-mercapto-propanoyl)amino]-3-methyl-pentanoyl]amino]-3-methyl-pentyl] ester Formula: C20H40N4O4S2 MolecularWeight: 464.686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(NC(=O)C(C(C)CC)NC(=O)C(CS)N)OC(=O)C(CCSC)N

Isomeric SMILES

CCC(C)CC(NC(=O)C(C(C)CC)NC(=O)C(CS)N)OC(=O)C(CCSC)N

InChI

InChI=1S/C20H40N4O4S2/c1-6-12(3)10-16(28-20(27)14(21)8-9-30-5)23-19(26)17(13(4)7-2)24-18(25)15(22)11-29/h12-17,29H,6-11,21-22H2,1-5H3,(H,23,26)(H,24,25)