2-azanyl-3-oxidanylidene-2-(phenylcarbonyl)-4-[2-(2-sulfanylethanoylamino)ethanoylamino]butanoic acid

Systemtic Name: 2-azanyl-3-oxidanylidene-2-(phenylcarbonyl)-4-[2-(2-sulfanylethanoylamino)ethanoylamino]butanoic acid Openeye Name: 2-amino-2-benzoyl-3-oxo-4-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]butanoic acid CAS Name: 2-amino-2-benzoyl-4-[[2-[(2-mercapto-1-oxoethyl)amino]-1-oxoethyl]amino]-3-oxobutanoic acid IUPAC Name: 2-amino-2-benzoyl-3-oxo-4-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]butanoic acid Traditional Name: 2-amino-2-benzoyl-3-keto-4-[[2-[(2-mercaptoacetyl)amino]acetyl]amino]butyric acid Formula: C15H17N3O6S MolecularWeight: 367.37698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(C(=O)CNC(=O)CNC(=O)CS)(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(C(=O)CNC(=O)CNC(=O)CS)(C(=O)O)N

InChI

InChI=1S/C15H17N3O6S/c16-15(14(23)24,13(22)9-4-2-1-3-5-9)10(19)6-17-11(20)7-18-12(21)8-25/h1-5,25H,6-8,16H2,(H,17,20)(H,18,21)(H,23,24)