acetamido 3-[2-(aminomethyl)-1,3-thiazol-4-yl]-2-azanyl-3-oxidanylidene-2-(phenylmethyl)propanoate

Systemtic Name: acetamido 3-[2-(aminomethyl)-1,3-thiazol-4-yl]-2-azanyl-3-oxidanylidene-2-(phenylmethyl)propanoate Openeye Name: acetamido 2-amino-3-[2-(aminomethyl)thiazol-4-yl]-2-benzyl-3-oxo-propanoate CAS Name: 2-amino-3-[2-(aminomethyl)-4-thiazolyl]-3-oxo-2-(phenylmethyl)propanoic acid acetamido ester IUPAC Name: acetamido 2-amino-3-[2-(aminomethyl)-1,3-thiazol-4-yl]-2-benzyl-3-oxopropanoate Traditional Name: 2-amino-3-[2-(aminomethyl)thiazol-4-yl]-2-benzyl-3-keto-propionic acid acetamido ester Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NOC(=O)C(CC1=CC=CC=C1)(C(=O)C2=CSC(=N2)CN)N

Isomeric SMILES

CC(=O)NOC(=O)C(CC1=CC=CC=C1)(C(=O)C2=CSC(=N2)CN)N

InChI

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