2-[(2-azanyl-3-phenyl-propanoyl)-(3-methylpentyl)amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(2-azanyl-3-phenyl-propanoyl)-(3-methylpentyl)amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(2-amino-3-phenyl-propanoyl)-(3-methylpentyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[(2-amino-1-oxo-3-phenylpropyl)-(3-methylpentyl)amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(2-amino-3-phenylpropanoyl)-(3-methylpentyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[3-methylpentyl(phenylalanyl)amino]-4-(methylthio)butyric acid Formula: C20H32N2O3S MolecularWeight: 380.54468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O3S/c1-4-15(2)10-12-22(18(20(24)25)11-13-26-3)19(23)17(21)14-16-8-6-5-7-9-16/h5-9,15,17-18H,4,10-14,21H2,1-3H3,(H,24,25)