8S8

(3~{S},6~{S},7~{R},9~{a}~{R})-6-[[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonylamino]-7-methyl-5-oxidanylidene-1,2,3,6,7,9~{a}-hexahydropyrrolo[1,2-a]azepine-3-carboxylic acid


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Chemical Component Summary

Name(3~{S},6~{S},7~{R},9~{a}~{R})-6-[[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonylamino]-7-methyl-5-oxidanylidene-1,2,3,6,7,9~{a}-hexahydropyrrolo[1,2-a]azepine-3-carboxylic acid
Identifiers(3~{S},6~{S},7~{R},9~{a}~{R})-6-[[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonylamino]-7-methyl-5-oxidanylidene-1,2,3,6,7,9~{a}-hexahydropyrrolo[1,2-a]azepine-3-carboxylic acid
FormulaC34 H40 Cl N5 O7
Molecular Weight666.164
TypeNON-POLYMER
Isomeric SMILESC[C@@H]1C=C[C@H]2CC[C@H](N2C(=O)[C@H]1NC(=O)[C@@H]3CC[C@@H]4N3C(=O)[C@@]5(CCCN5C(=O)[C@H](Cc6ccccc6Cl)NC(=O)C)C=C4)C(=O)O
InChIInChI=1S/C34H40ClN5O7/c1-19-8-9-22-11-13-27(32(45)46)39(22)31(44)28(19)37-29(42)26-12-10-23-14-16-34(33(47)40(23)26)15-5-17-38(34)30(43)25(36-20(2)41)18-21-6-3-4-7-24(21)35/h3-4,6-9,14,16,19,22-23,25-28H,5,10-13,15,17-18H2,1-2H3,(H,36,41)(H,37,42)(H,45,46)/t19-,22+,23+,25+,26+,27+,28+,34-/m1/s1
InChIKeyWKURYOLGXNZIGX-WKYFTVTDSA-N

Chemical Details

Formal Charge0
Atom Count87
Chiral Atom Count8
Bond Count92
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 126970806