2-[2-(2-azanylethanoylamino)ethanoyl-(2-sulfanylpropanoyl)amino]ethanoyl benzoate

Systemtic Name: 2-[2-(2-azanylethanoylamino)ethanoyl-(2-sulfanylpropanoyl)amino]ethanoyl benzoate Openeye Name: [2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-sulfanylpropanoyl)amino]acetyl] benzoate CAS Name: benzoic acid [2-[[2-[(2-amino-1-oxoethyl)amino]-1-oxoethyl]-(2-mercapto-1-oxopropyl)amino]-1-oxoethyl] ester IUPAC Name: [2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-sulfanylpropanoyl)amino]acetyl] benzoate Traditional Name: benzoic acid [2-[[2-(glycylamino)acetyl]-(2-mercaptopropanoyl)amino]acetyl] ester Formula: C16H19N3O6S MolecularWeight: 381.40356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CC(=O)OC(=O)C1=CC=CC=C1)C(=O)CNC(=O)CN)S

Isomeric SMILES

CC(C(=O)N(CC(=O)OC(=O)C1=CC=CC=C1)C(=O)CNC(=O)CN)S

InChI

InChI=1S/C16H19N3O6S/c1-10(26)15(23)19(13(21)8-18-12(20)7-17)9-14(22)25-16(24)11-5-3-2-4-6-11/h2-6,10,26H,7-9,17H2,1H3,(H,18,20)