3-[2-[1-methyl-3-(methylamino)-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[2-[1-methyl-3-(methylamino)-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[2-[1-methyl-3-(methylamino)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[2-[1-methyl-3-(methylamino)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]-1-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[2-[1-methyl-3-(methylamino)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-3-[[2-[4-keto-1-methyl-3-(methylamino)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]butyric acid Formula: C17H22N4O5 MolecularWeight: 362.38038

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Descriptors Computed from Structure

Canonical SMILES:

CNC1CN(C2=CC=CC=C2N(C1=O)CC(=O)NC(CC(=O)O)C=O)C

Isomeric SMILES

CNC1CN(C2=CC=CC=C2N(C1=O)CC(=O)NC(CC(=O)O)C=O)C

InChI

InChI=1S/C17H22N4O5/c1-18-12-8-20(2)13-5-3-4-6-14(13)21(17(12)26)9-15(23)19-11(10-22)7-16(24)25/h3-6,10-12,18H,7-9H2,1-2H3,(H,19,23)(H,24,25)