2-acetamido-4-[2-(aminomethyl)-1,3-thiazol-4-yl]-2-azanyl-4-oxidanylidene-3-phenyl-butanoic acid

Systemtic Name: 2-acetamido-4-[2-(aminomethyl)-1,3-thiazol-4-yl]-2-azanyl-4-oxidanylidene-3-phenyl-butanoic acid Openeye Name: 2-acetamido-2-amino-4-[2-(aminomethyl)thiazol-4-yl]-4-oxo-3-phenyl-butanoic acid CAS Name: 2-acetamido-2-amino-4-[2-(aminomethyl)-4-thiazolyl]-4-oxo-3-phenylbutanoic acid IUPAC Name: 2-acetamido-2-amino-4-[2-(aminomethyl)-1,3-thiazol-4-yl]-4-oxo-3-phenylbutanoic acid Traditional Name: 2-acetamido-2-amino-4-[2-(aminomethyl)thiazol-4-yl]-4-keto-3-phenyl-butyric acid Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(C1=CC=CC=C1)C(=O)C2=CSC(=N2)CN)(C(=O)O)N

Isomeric SMILES

CC(=O)NC(C(C1=CC=CC=C1)C(=O)C2=CSC(=N2)CN)(C(=O)O)N

InChI

InChI=1S/C16H18N4O4S/c1-9(21)20-16(18,15(23)24)13(10-5-3-2-4-6-10)14(22)11-8-25-12(7-17)19-11/h2-6,8,13H,7,17-18H2,1H3,(H,20,21)(H,23,24)