2-[4-methyl-3-oxidanylidene-7-[(2S)-1-piperidin-1-ylpiperidin-2-yl]carbonyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid

Systemtic Name: 2-[4-methyl-3-oxidanylidene-7-[(2S)-1-piperidin-1-ylpiperidin-2-yl]carbonyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[4-methyl-3-oxo-7-[(2S)-1-(1-piperidyl)piperidine-2-carbonyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[4-methyl-3-oxo-7-[oxo-[(2S)-1-(1-piperidinyl)-2-piperidinyl]methyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[4-methyl-3-oxo-7-[(2S)-1-piperidin-1-ylpiperidine-2-carbonyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[3-keto-4-methyl-7-[(2S)-1-piperidinopipecoloyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C23H32N4O4 MolecularWeight: 428.52458

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=CC(=C2)C(=O)C3CCCCN3N4CCCCC4)NC(C1=O)CC(=O)O

Isomeric SMILES

CN1CC2=C(C=CC(=C2)C(=O)[C@@H]3CCCCN3N4CCCCC4)NC(C1=O)CC(=O)O

InChI

InChI=1S/C23H32N4O4/c1-25-15-17-13-16(8-9-18(17)24-19(23(25)31)14-21(28)29)22(30)20-7-3-6-12-27(20)26-10-4-2-5-11-26/h8-9,13,19-20,24H,2-7,10-12,14-15H2,1H3,(H,28,29)/t19?,20-/m0/s1