(4S,7S)-N-[(3S)-1-(1,3-benzothiazol-2-ylsulfanyl)-4-methyl-2-oxidanylidene-pentan-3-yl]-7-(furan-2-ylcarbonylamino)-6,10-bis(oxidanylidene)-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a][1,2]diazepine-4-carboxamide

Systemtic Name: (4S,7S)-N-[(3S)-1-(1,3-benzothiazol-2-ylsulfanyl)-4-methyl-2-oxidanylidene-pentan-3-yl]-7-(furan-2-ylcarbonylamino)-6,10-bis(oxidanylidene)-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a][1,2]diazepine-4-carboxamide Openeye Name: (4S,7S)-N-[(1S)-3-(1,3-benzothiazol-2-ylsulfanyl)-1-isopropyl-2-oxo-propyl]-7-(furan-2-carbonylamino)-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide CAS Name: (4S,7S)-N-[(3S)-1-(1,3-benzothiazol-2-ylthio)-4-methyl-2-oxopentan-3-yl]-7-[[2-furanyl(oxo)methyl]amino]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide IUPAC Name: (4S,7S)-N-[(3S)-1-(1,3-benzothiazol-2-ylsulfanyl)-4-methyl-2-oxopentan-3-yl]-7-(furan-2-carbonylamino)-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide Traditional Name: (4S,7S)-N-[(1S)-3-(1,3-benzothiazol-2-ylthio)-1-isopropyl-2-keto-propyl]-7-(2-furoylamino)-6,10-diketo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide Formula: C28H31N5O6S2 MolecularWeight: 597.70564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)CSC1=NC2=CC=CC=C2S1)NC(=O)C3CCCN4N3C(=O)C(CCC4=O)NC(=O)C5=CC=CO5

Isomeric SMILES

CC(C)[C@@H](C(=O)CSC1=NC2=CC=CC=C2S1)NC(=O)[C@@H]3CCCN4N3C(=O)[C@H](CCC4=O)NC(=O)C5=CC=CO5

InChI

InChI=1S/C28H31N5O6S2/c1-16(2)24(20(34)15-40-28-30-17-7-3-4-10-22(17)41-28)31-25(36)19-8-5-13-32-23(35)12-11-18(27(38)33(19)32)29-26(37)21-9-6-14-39-21/h3-4,6-7,9-10,14,16,18-19,24H,5,8,11-13,15H2,1-2H3,(H,29,37)(H,31,36)/t18-,19-,24-/m0/s1