3-azanyl-4-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid; 2-azanyl-3-sulfanyl-propanoic acid

Systemtic Name: 3-azanyl-4-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid; 2-azanyl-3-sulfanyl-propanoic acid Openeye Name: 3-amino-4-[(1-benzyl-2-methoxy-2-oxo-ethyl)amino]-4-oxo-butanoic acid; 2-amino-3-sulfanyl-propanoic acid CAS Name: 2-amino-3-mercaptopropanoic acid; 3-amino-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid; 2-amino-3-sulfanylpropanoic acid Traditional Name: 3-amino-4-[(1-benzyl-2-keto-2-methoxy-ethyl)amino]-4-keto-butyric acid; 2-amino-3-mercapto-propionic acid Formula: C17H25N3O7S MolecularWeight: 415.4613

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N.C(C(C(=O)O)N)S

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N.C(C(C(=O)O)N)S

InChI

InChI=1S/C14H18N2O5.C3H7NO2S/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18;4-2(1-7)3(5)6/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18);2,7H,1,4H2,(H,5,6)