5-[(4S)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[1-oxidanylidene-1-[[(E)-3-oxidanylidene-5-(phenylsulfonyl)pent-4-en-2-yl]amino]-3-phenyl-propan-2-yl]pentanamide

Systemtic Name: 5-[(4S)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[1-oxidanylidene-1-[[(E)-3-oxidanylidene-5-(phenylsulfonyl)pent-4-en-2-yl]amino]-3-phenyl-propan-2-yl]pentanamide Openeye Name: N-[2-[[(E)-4-(benzenesulfonyl)-1-methyl-2-oxo-but-3-enyl]amino]-1-benzyl-2-oxo-ethyl]-5-[(4S)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanamide CAS Name: N-[1-[[(E)-5-(benzenesulfonyl)-3-oxopent-4-en-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-5-[(4S)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanamide IUPAC Name: N-[1-[[(E)-5-(benzenesulfonyl)-3-oxopent-4-en-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-5-[(4S)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanamide Traditional Name: N-[1-benzyl-2-[[(E)-4-besyl-2-keto-1-methyl-but-3-enyl]amino]-2-keto-ethyl]-5-[(4S)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]valeramide Formula: C30H36N4O6S2 MolecularWeight: 612.76004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C=CS(=O)(=O)C1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)CCCCC3C4C(CS3)NC(=O)N4

Isomeric SMILES

CC(C(=O)/C=C/S(=O)(=O)C1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)CCCC[C@H]3C4C(CS3)NC(=O)N4

InChI

InChI=1S/C30H36N4O6S2/c1-20(25(35)16-17-42(39,40)22-12-6-3-7-13-22)31-29(37)23(18-21-10-4-2-5-11-21)32-27(36)15-9-8-14-26-28-24(19-41-26)33-30(38)34-28/h2-7,10-13,16-17,20,23-24,26,28H,8-9,14-15,18-19H2,1H3,(H,31,37)(H,32,36)(H2,33,34,38)/b17-16+/t20?,23?,24?,26-,28?/m0/s1