methyl 12-[6-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]dodecanoate

Systemtic Name: methyl 12-[6-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]dodecanoate Openeye Name: methyl 12-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]dodecanoate CAS Name: 12-[[6-[[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1-oxohexyl]amino]dodecanoic acid methyl ester IUPAC Name: methyl 12-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]dodecanoate Traditional Name: 12-[6-[5-[(3aS,4S,6aR)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]lauric acid methyl ester Formula: C29H52N4O5S MolecularWeight: 568.81198

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCCCCCNC(=O)CCCCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2

Isomeric SMILES

COC(=O)CCCCCCCCCCCNC(=O)CCCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2

InChI

InChI=1S/C29H52N4O5S/c1-38-27(36)19-11-7-5-3-2-4-6-8-14-20-30-25(34)17-10-9-15-21-31-26(35)18-13-12-16-24-28-23(22-39-24)32-29(37)33-28/h23-24,28H,2-22H2,1H3,(H,30,34)(H,31,35)(H2,32,33,37)/t23-,24-,28-/m0/s1