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

Systemtic Name: 2-[4-(2-cyclohexylethyl)-3-oxidanylidene-7-(4-piperidin-4-ylpiperidin-1-yl)carbonyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[4-(2-cyclohexylethyl)-3-oxo-7-[4-(4-piperidyl)piperidine-1-carbonyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[4-(2-cyclohexylethyl)-3-oxo-7-[oxo-[4-(4-piperidinyl)-1-piperidinyl]methyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[4-(2-cyclohexylethyl)-3-oxo-7-(4-piperidin-4-ylpiperidine-1-carbonyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[4-(2-cyclohexylethyl)-3-keto-7-[4-(4-piperidyl)piperidine-1-carbonyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C30H44N4O4 MolecularWeight: 524.69476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCN2CC3=C(C=CC(=C3)C(=O)N4CCC(CC4)C5CCNCC5)NC(C2=O)CC(=O)O

Isomeric SMILES

C1CCC(CC1)CCN2CC3=C(C=CC(=C3)C(=O)N4CCC(CC4)C5CCNCC5)NC(C2=O)CC(=O)O

InChI

InChI=1S/C30H44N4O4/c35-28(36)19-27-30(38)34(15-10-21-4-2-1-3-5-21)20-25-18-24(6-7-26(25)32-27)29(37)33-16-11-23(12-17-33)22-8-13-31-14-9-22/h6-7,18,21-23,27,31-32H,1-5,8-17,19-20H2,(H,35,36)