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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(=O)NCC2=C1C=CC(=C2)C(=O)N3CCC(CC3)C4CCNCC4)CC(=O)O

Isomeric SMILES

CN1[C@H](C(=O)NCC2=C1C=CC(=C2)C(=O)N3CCC(CC3)C4CCNCC4)CC(=O)O

InChI

InChI=1S/C23H32N4O4/c1-26-19-3-2-17(12-18(19)14-25-22(30)20(26)13-21(28)29)23(31)27-10-6-16(7-11-27)15-4-8-24-9-5-15/h2-3,12,15-16,20,24H,4-11,13-14H2,1H3,(H,25,30)(H,28,29)/t20-/m0/s1