5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[(2S)-3-(4-azidophenyl)-1-[[5-[[4-[(2S,3R)-2-(4-methoxyphenyl)-4-oxidanylidene-3-[(3S)-3-oxidanyl-3-phenyl-propyl]azetidin-1-yl]phenyl]amino]-5-oxidanylidene-pentyl]amino]-1-oxidanylidene-propan-2-yl]pentanamide

Systemtic Name: 5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[(2S)-3-(4-azidophenyl)-1-[[5-[[4-[(2S,3R)-2-(4-methoxyphenyl)-4-oxidanylidene-3-[(3S)-3-oxidanyl-3-phenyl-propyl]azetidin-1-yl]phenyl]amino]-5-oxidanylidene-pentyl]amino]-1-oxidanylidene-propan-2-yl]pentanamide Openeye Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[(1S)-1-[(4-azidophenyl)methyl]-2-[[5-[4-[(2S,3R)-3-[(3S)-3-hydroxy-3-phenyl-propyl]-2-(4-methoxyphenyl)-4-oxo-azetidin-1-yl]anilino]-5-oxo-pentyl]amino]-2-oxo-ethyl]pentanamide CAS Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[(2S)-3-(4-azidophenyl)-1-[[5-[4-[(2S,3R)-3-[(3S)-3-hydroxy-3-phenylpropyl]-2-(4-methoxyphenyl)-4-oxo-1-azetidinyl]anilino]-5-oxopentyl]amino]-1-oxopropan-2-yl]pentanamide IUPAC Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[(2S)-3-(4-azidophenyl)-1-[[5-[4-[(2S,3R)-3-[(3S)-3-hydroxy-3-phenylpropyl]-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]anilino]-5-oxopentyl]amino]-1-oxopropan-2-yl]pentanamide Traditional Name: 5-[(3aS,4S,6aR)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]-N-[(1S)-1-(4-azidobenzyl)-2-[[5-[4-[(3R,4S)-3-[(3S)-3-hydroxy-3-phenyl-propyl]-2-keto-4-(4-methoxyphenyl)azetidin-1-yl]anilino]-5-keto-pentyl]amino]-2-keto-ethyl]valeramide Formula: C49H57N9O7S MolecularWeight: 916.09798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=O)N2C3=CC=C(C=C3)NC(=O)CCCCNC(=O)C(CC4=CC=C(C=C4)N=[N+]=[N-])NC(=O)CCCCC5C6C(CS5)NC(=O)N6)CCC(C7=CC=CC=C7)O

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2[C@H](C(=O)N2C3=CC=C(C=C3)NC(=O)CCCCNC(=O)[C@H](CC4=CC=C(C=C4)N=[N+]=[N-])NC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6)CC[C@@H](C7=CC=CC=C7)O

InChI

InChI=1S/C49H57N9O7S/c1-65-37-24-16-33(17-25-37)46-38(26-27-41(59)32-9-3-2-4-10-32)48(63)58(46)36-22-20-34(21-23-36)52-43(60)13-7-8-28-51-47(62)39(29-31-14-18-35(19-15-31)56-57-50)53-44(61)12-6-5-11-42-45-40(30-66-42)54-49(64)55-45/h2-4,9-10,14-25,38-42,45-46,59H,5-8,11-13,26-30H2,1H3,(H,51,62)(H,52,60)(H,53,61)(H2,54,55,64)/t38-,39+,40+,41+,42+,45+,46-/m1/s1