6-[4-[(2R)-3-[4-azanyl-3-chloranyl-5-(trifluoromethyl)phenyl]-2-[4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]carbonyloxy-propanoyl]piperazin-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 6-[4-[(2R)-3-[4-azanyl-3-chloranyl-5-(trifluoromethyl)phenyl]-2-[4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]carbonyloxy-propanoyl]piperazin-1-yl]pyridine-3-carboxylic acid Openeye Name: 6-[4-[(2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carbonyl]oxy-propanoyl]piperazin-1-yl]pyridine-3-carboxylic acid CAS Name: 6-[4-[(2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-oxo-2-[oxo-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)-1-piperidinyl]methoxy]propyl]-1-piperazinyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[4-[(2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carbonyl]oxypropanoyl]piperazin-1-yl]pyridine-3-carboxylic acid Traditional Name: 6-[4-[(2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-[4-(2-keto-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carbonyl]oxy-propanoyl]piperazino]nicotinic acid Formula: C35H37ClF3N7O6 MolecularWeight: 744.15979

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCC3=CC=CC=C3NC2=O)C(=O)OC(CC4=CC(=C(C(=C4)Cl)N)C(F)(F)F)C(=O)N5CCN(CC5)C6=NC=C(C=C6)C(=O)O

Isomeric SMILES

C1CN(CCC1N2CCC3=CC=CC=C3NC2=O)C(=O)O[C@H](CC4=CC(=C(C(=C4)Cl)N)C(F)(F)F)C(=O)N5CCN(CC5)C6=NC=C(C=C6)C(=O)O

InChI

InChI=1S/C35H37ClF3N7O6/c36-26-18-21(17-25(30(26)40)35(37,38)39)19-28(31(47)44-15-13-43(14-16-44)29-6-5-23(20-41-29)32(48)49)52-34(51)45-10-8-24(9-11-45)46-12-7-22-3-1-2-4-27(22)42-33(46)50/h1-6,17-18,20,24,28H,7-16,19,40H2,(H,42,50)(H,48,49)/t28-/m1/s1