(3S)-1-methyl-2-oxidanylidene-3-(3-oxidanylpropanoylamino)-3,4-dihydro-1,5-benzodiazepine-5-carboxylic acid

Systemtic Name: (3S)-1-methyl-2-oxidanylidene-3-(3-oxidanylpropanoylamino)-3,4-dihydro-1,5-benzodiazepine-5-carboxylic acid Openeye Name: (3S)-3-(3-hydroxypropanoylamino)-1-methyl-2-oxo-3,4-dihydro-1,5-benzodiazepine-5-carboxylic acid CAS Name: (3S)-3-[(3-hydroxy-1-oxopropyl)amino]-1-methyl-2-oxo-3,4-dihydro-1,5-benzodiazepine-5-carboxylic acid IUPAC Name: (3S)-3-(3-hydroxypropanoylamino)-1-methyl-2-oxo-3,4-dihydro-1,5-benzodiazepine-5-carboxylic acid Traditional Name: (3S)-3-(3-hydroxypropanoylamino)-2-keto-1-methyl-3,4-dihydro-1,5-benzodiazepine-5-carboxylic acid Formula: C14H17N3O5 MolecularWeight: 307.30188

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(CC(C1=O)NC(=O)CCO)C(=O)O

Isomeric SMILES

CN1C2=CC=CC=C2N(C[C@@H](C1=O)NC(=O)CCO)C(=O)O

InChI

InChI=1S/C14H17N3O5/c1-16-10-4-2-3-5-11(10)17(14(21)22)8-9(13(16)20)15-12(19)6-7-18/h2-5,9,18H,6-8H2,1H3,(H,15,19)(H,21,22)/t9-/m0/s1