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

Systemtic Name: 2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(2-amino-3-phenyl-propanoyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[(2-amino-1-oxo-3-phenylpropyl)amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(2-amino-3-phenylpropanoyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-(phenylalanylamino)butyric acid Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)N

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)N

InChI

InChI=1S/C14H20N2O3S/c1-20-8-7-12(14(18)19)16-13(17)11(15)9-10-5-3-2-4-6-10/h2-6,11-12H,7-9,15H2,1H3,(H,16,17)(H,18,19)