methyl 2-[(2-azanyl-3-phenyl-propanoyl)-(3-methylpentyl)amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[(2-azanyl-3-phenyl-propanoyl)-(3-methylpentyl)amino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[(2-amino-3-phenyl-propanoyl)-(3-methylpentyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[(2-amino-1-oxo-3-phenylpropyl)-(3-methylpentyl)amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(2-amino-3-phenylpropanoyl)-(3-methylpentyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[3-methylpentyl(phenylalanyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C21H34N2O3S MolecularWeight: 394.57126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCN(C(CCSC)C(=O)OC)C(=O)C(CC1=CC=CC=C1)N

Isomeric SMILES

CCC(C)CCN(C(CCSC)C(=O)OC)C(=O)C(CC1=CC=CC=C1)N

InChI

InChI=1S/C21H34N2O3S/c1-5-16(2)11-13-23(19(12-14-27-4)21(25)26-3)20(24)18(22)15-17-9-7-6-8-10-17/h6-10,16,18-19H,5,11-15,22H2,1-4H3