2-azanyl-5-[[1-(carboxymethylamino)-1-oxidanylidene-3-[5-[5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]pentylsulfanyl]propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-5-[[1-(carboxymethylamino)-1-oxidanylidene-3-[5-[5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]pentylsulfanyl]propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[2-(carboxymethylamino)-2-oxo-1-[5-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]pentylsulfanylmethyl]ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[1-(carboxymethylamino)-1-oxo-3-[5-[[1-oxo-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentyl]amino]pentylthio]propan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[1-(carboxymethylamino)-1-oxo-3-[5-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]pentylsulfanyl]propan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[2-(carboxymethylamino)-2-keto-1-[[5-[5-(2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl)pentanoylamino]pentylthio]methyl]ethyl]amino]-5-keto-valeric acid Formula: C25H42N6O8S2 MolecularWeight: 618.76638

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(S1)CCCCC(=O)NCCCCCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)NC(=O)N2

Isomeric SMILES

C1C2C(C(S1)CCCCC(=O)NCCCCCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)NC(=O)N2

InChI

InChI=1S/C25H42N6O8S2/c26-15(24(37)38)8-9-20(33)29-17(23(36)28-12-21(34)35)13-40-11-5-1-4-10-27-19(32)7-3-2-6-18-22-16(14-41-18)30-25(39)31-22/h15-18,22H,1-14,26H2,(H,27,32)(H,28,36)(H,29,33)(H,34,35)(H,37,38)(H2,30,31,39)