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

Systemtic Name: 2-[(2S)-4-methyl-3-oxidanylidene-7-(4-pyridin-4-ylpiperidin-1-yl)carbonyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-4-methyl-3-oxo-7-[4-(4-pyridyl)piperidine-1-carbonyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[(2S)-4-methyl-3-oxo-7-[oxo-(4-pyridin-4-yl-1-piperidinyl)methyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[(2S)-4-methyl-3-oxo-7-(4-pyridin-4-ylpiperidine-1-carbonyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[(2S)-3-keto-4-methyl-7-[4-(4-pyridyl)piperidine-1-carbonyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=CC(=C2)C(=O)N3CCC(CC3)C4=CC=NC=C4)NC(C1=O)CC(=O)O

Isomeric SMILES

CN1CC2=C(C=CC(=C2)C(=O)N3CCC(CC3)C4=CC=NC=C4)N[C@H](C1=O)CC(=O)O

InChI

InChI=1S/C23H26N4O4/c1-26-14-18-12-17(2-3-19(18)25-20(23(26)31)13-21(28)29)22(30)27-10-6-16(7-11-27)15-4-8-24-9-5-15/h2-5,8-9,12,16,20,25H,6-7,10-11,13-14H2,1H3,(H,28,29)/t20-/m0/s1