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

Systemtic Name: 2-[[2-(2-azanylpropanoylamino)-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-(2-aminopropanoylamino)-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[(2-amino-1-oxopropyl)amino]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2-aminopropanoylamino)-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(alanylamino)-3-phenyl-propanoyl]amino]-4-(methylthio)butyric acid Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O4S/c1-11(18)15(21)20-14(10-12-6-4-3-5-7-12)16(22)19-13(17(23)24)8-9-25-2/h3-7,11,13-14H,8-10,18H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)