[(3S)-3-[[(4S,7S)-7-(furan-2-ylcarbonylamino)-6,10-bis(oxidanylidene)-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a][1,2]diazepin-4-yl]carbonylamino]-2-oxidanylidene-4-phenyl-butyl] 2,6-bis(chloranyl)benzoate

Systemtic Name: [(3S)-3-[[(4S,7S)-7-(furan-2-ylcarbonylamino)-6,10-bis(oxidanylidene)-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a][1,2]diazepin-4-yl]carbonylamino]-2-oxidanylidene-4-phenyl-butyl] 2,6-bis(chloranyl)benzoate Openeye Name: [(3S)-3-[[(4S,7S)-7-(furan-2-carbonylamino)-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-2-oxo-4-phenyl-butyl] 2,6-dichlorobenzoate CAS Name: 2,6-dichlorobenzoic acid [(3S)-3-[[[(4S,7S)-7-[[2-furanyl(oxo)methyl]amino]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepin-4-yl]-oxomethyl]amino]-2-oxo-4-phenylbutyl] ester IUPAC Name: [(3S)-3-[[(4S,7S)-7-(furan-2-carbonylamino)-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-2-oxo-4-phenylbutyl] 2,6-dichlorobenzoate Traditional Name: 2,6-dichlorobenzoic acid [(3S)-3-[[(4S,7S)-7-(2-furoylamino)-6,10-diketo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-2-keto-4-phenyl-butyl] ester Formula: C32H30Cl2N4O8 MolecularWeight: 669.5086

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N2C(=O)C(CCC(=O)N2C1)NC(=O)C3=CC=CO3)C(=O)NC(CC4=CC=CC=C4)C(=O)COC(=O)C5=C(C=CC=C5Cl)Cl

Isomeric SMILES

C1C[C@H](N2C(=O)[C@H](CCC(=O)N2C1)NC(=O)C3=CC=CO3)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)COC(=O)C5=C(C=CC=C5Cl)Cl

InChI

InChI=1S/C32H30Cl2N4O8/c33-20-9-4-10-21(34)28(20)32(44)46-18-25(39)23(17-19-7-2-1-3-8-19)36-29(41)24-11-5-15-37-27(40)14-13-22(31(43)38(24)37)35-30(42)26-12-6-16-45-26/h1-4,6-10,12,16,22-24H,5,11,13-15,17-18H2,(H,35,42)(H,36,41)/t22-,23-,24-/m0/s1