5-[(2-chlorophenyl)methylsulfanyl]-2-(1,2-diazepin-1-ylcarbonylamino)-4-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(2-chlorophenyl)methylsulfanyl]-2-(1,2-diazepin-1-ylcarbonylamino)-4-oxidanylidene-pentanoic acid Openeye Name: 5-[(2-chlorophenyl)methylsulfanyl]-2-(diazepine-1-carbonylamino)-4-oxo-pentanoic acid CAS Name: 5-[(2-chlorophenyl)methylthio]-2-[[1-diazepinyl(oxo)methyl]amino]-4-oxopentanoic acid IUPAC Name: 5-[(2-chlorophenyl)methylsulfanyl]-2-(diazepine-1-carbonylamino)-4-oxopentanoic acid Traditional Name: 5-[(2-chlorobenzyl)thio]-2-(diazepine-1-carbonylamino)-4-keto-valeric acid Formula: C18H18ClN3O4S MolecularWeight: 407.87122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NN(C=C1)C(=O)NC(CC(=O)CSCC2=CC=CC=C2Cl)C(=O)O

Isomeric SMILES

C1=CC=NN(C=C1)C(=O)NC(CC(=O)CSCC2=CC=CC=C2Cl)C(=O)O

InChI

InChI=1S/C18H18ClN3O4S/c19-15-7-3-2-6-13(15)11-27-12-14(23)10-16(17(24)25)21-18(26)22-9-5-1-4-8-20-22/h1-9,16H,10-12H2,(H,21,26)(H,24,25)