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

Systemtic Name: 2-[(2R)-3-oxidanylidene-7-(4-piperidin-4-ylpiperidin-1-yl)carbonyl-4-propan-2-yl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[(2R)-4-isopropyl-3-oxo-7-[4-(4-piperidyl)piperidine-1-carbonyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[(2R)-3-oxo-7-[oxo-[4-(4-piperidinyl)-1-piperidinyl]methyl]-4-propan-2-yl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[(2R)-3-oxo-7-(4-piperidin-4-ylpiperidine-1-carbonyl)-4-propan-2-yl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[(2R)-4-isopropyl-3-keto-7-[4-(4-piperidyl)piperidine-1-carbonyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C25H36N4O4 MolecularWeight: 456.57774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CC2=C(C=CC(=C2)C(=O)N3CCC(CC3)C4CCNCC4)NC(C1=O)CC(=O)O

Isomeric SMILES

CC(C)N1CC2=C(C=CC(=C2)C(=O)N3CCC(CC3)C4CCNCC4)N[C@@H](C1=O)CC(=O)O

InChI

InChI=1S/C25H36N4O4/c1-16(2)29-15-20-13-19(3-4-21(20)27-22(25(29)33)14-23(30)31)24(32)28-11-7-18(8-12-28)17-5-9-26-10-6-17/h3-4,13,16-18,22,26-27H,5-12,14-15H2,1-2H3,(H,30,31)/t22-/m1/s1