(3R)-3-[2-[2-[5-[(3aR,4R,6aS)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethanoylamino]ethanoylamino]-4-chloranyl-butanoic acid

Systemtic Name: (3R)-3-[2-[2-[5-[(3aR,4R,6aS)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethanoylamino]ethanoylamino]-4-chloranyl-butanoic acid Openeye Name: (3R)-3-[[2-[[2-[5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]acetyl]amino]acetyl]amino]-4-chloro-butanoic acid CAS Name: (3R)-3-[[2-[[2-[[5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-4-chlorobutanoic acid IUPAC Name: (3R)-3-[[2-[[2-[5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]acetyl]amino]acetyl]amino]-4-chlorobutanoic acid Traditional Name: (3R)-3-[[2-[[2-[5-[(3aR,4R,6aS)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]pentanoylamino]acetyl]amino]acetyl]amino]-4-chloro-butyric acid Formula: C18H28ClN5O6S MolecularWeight: 477.96282

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(S1)CCCCC(=O)NCC(=O)NCC(=O)NC(CC(=O)O)CCl)NC(=O)N2

Isomeric SMILES

C1[C@@H]2[C@H]([C@H](S1)CCCCC(=O)NCC(=O)NCC(=O)N[C@H](CC(=O)O)CCl)NC(=O)N2

InChI

InChI=1S/C18H28ClN5O6S/c19-6-10(5-16(28)29)22-15(27)8-21-14(26)7-20-13(25)4-2-1-3-12-17-11(9-31-12)23-18(30)24-17/h10-12,17H,1-9H2,(H,20,25)(H,21,26)(H,22,27)(H,28,29)(H2,23,24,30)/t10-,11-,12-,17-/m1/s1