[(3S)-3-[[(4S,7S)-7-(cyclohexylcarbamoylamino)-6,10-bis(oxidanylidene)-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a][1,2]diazepin-4-yl]carbonylamino]-2,6-bis(oxidanylidene)-6-prop-2-enoxy-hexyl] 2,6-bis(chloranyl)benzoate

Systemtic Name: [(3S)-3-[[(4S,7S)-7-(cyclohexylcarbamoylamino)-6,10-bis(oxidanylidene)-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a][1,2]diazepin-4-yl]carbonylamino]-2,6-bis(oxidanylidene)-6-prop-2-enoxy-hexyl] 2,6-bis(chloranyl)benzoate Openeye Name: [(3S)-6-allyloxy-3-[[(4S,7S)-7-(cyclohexylcarbamoylamino)-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-2,6-dioxo-hexyl] 2,6-dichlorobenzoate CAS Name: 2,6-dichlorobenzoic acid [(3S)-3-[[[(4S,7S)-7-[[(cyclohexylamino)-oxomethyl]amino]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepin-4-yl]-oxomethyl]amino]-2,6-dioxo-6-prop-2-enoxyhexyl] ester IUPAC Name: [(3S)-3-[[(4S,7S)-7-(cyclohexylcarbamoylamino)-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-2,6-dioxo-6-prop-2-enoxyhexyl] 2,6-dichlorobenzoate Traditional Name: 2,6-dichlorobenzoic acid [(3S)-6-allyloxy-3-[[(4S,7S)-7-(cyclohexylcarbamoylamino)-6,10-diketo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-2,6-diketo-hexyl] ester Formula: C33H41Cl2N5O9 MolecularWeight: 722.61274

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)CCC(C(=O)COC(=O)C1=C(C=CC=C1Cl)Cl)NC(=O)C2CCCN3N2C(=O)C(CCC3=O)NC(=O)NC4CCCCC4

Isomeric SMILES

C=CCOC(=O)CC[C@@H](C(=O)COC(=O)C1=C(C=CC=C1Cl)Cl)NC(=O)[C@@H]2CCCN3N2C(=O)[C@H](CCC3=O)NC(=O)NC4CCCCC4

InChI

InChI=1S/C33H41Cl2N5O9/c1-2-18-48-28(43)16-14-23(26(41)19-49-32(46)29-21(34)10-6-11-22(29)35)37-30(44)25-12-7-17-39-27(42)15-13-24(31(45)40(25)39)38-33(47)36-20-8-4-3-5-9-20/h2,6,10-11,20,23-25H,1,3-5,7-9,12-19H2,(H,37,44)(H2,36,38,47)/t23-,24-,25-/m0/s1