(4S,7S)-6,10-bis(oxidanylidene)-N-[(2S)-3-oxidanylidene-1-phenyl-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butan-2-yl]-7-[(4-phenoxyphenyl)carbamoylamino]-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a][1,2]diazepine-4-carboxamide

Systemtic Name: (4S,7S)-6,10-bis(oxidanylidene)-N-[(2S)-3-oxidanylidene-1-phenyl-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butan-2-yl]-7-[(4-phenoxyphenyl)carbamoylamino]-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a][1,2]diazepine-4-carboxamide Openeye Name: (4S,7S)-N-[(1S)-1-benzyl-2-oxo-3-(1-phenyltetrazol-5-yl)sulfanyl-propyl]-6,10-dioxo-7-[(4-phenoxyphenyl)carbamoylamino]-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide CAS Name: (4S,7S)-6,10-dioxo-7-[[oxo-(4-phenoxyanilino)methyl]amino]-N-[(2S)-3-oxo-1-phenyl-4-[(1-phenyl-5-tetrazolyl)thio]butan-2-yl]-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide IUPAC Name: (4S,7S)-6,10-dioxo-N-[(2S)-3-oxo-1-phenyl-4-(1-phenyltetrazol-5-yl)sulfanylbutan-2-yl]-7-[(4-phenoxyphenyl)carbamoylamino]-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide Traditional Name: (4S,7S)-N-[(1S)-1-benzyl-2-keto-3-[(1-phenyltetrazol-5-yl)thio]propyl]-6,10-diketo-7-[(4-phenoxyphenyl)carbamoylamino]-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide Formula: C40H39N9O6S MolecularWeight: 773.85936

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N2C(=O)C(CCC(=O)N2C1)NC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)NC(CC5=CC=CC=C5)C(=O)CSC6=NN=NN6C7=CC=CC=C7

Isomeric SMILES

C1C[C@H](N2C(=O)[C@H](CCC(=O)N2C1)NC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)CSC6=NN=NN6C7=CC=CC=C7

InChI

InChI=1S/C40H39N9O6S/c50-35(26-56-40-44-45-46-48(40)29-13-6-2-7-14-29)33(25-27-11-4-1-5-12-27)42-37(52)34-17-10-24-47-36(51)23-22-32(38(53)49(34)47)43-39(54)41-28-18-20-31(21-19-28)55-30-15-8-3-9-16-30/h1-9,11-16,18-21,32-34H,10,17,22-26H2,(H,42,52)(H2,41,43,54)/t32-,33-,34-/m0/s1