Hexanamide, 6-[[3-[(3,20-dioxopregn-4-en-4-yl)thio]-1-oxopropyl]amino]-N-[6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]-

CAS Registry Number®

455333-66-1

CAS Name

Hexanamide, 6-[[3-[(3,20-dioxopregn-4-en-4-yl)thio]-1-oxopropyl]amino]-N-[6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]-

Molecular Formula

C40H59N3O8S

Molecular Mass

741.98

Cite this Page

Hexanamide, 6-[[3-[(3,20-dioxopregn-4-en-4-yl)thio]-1-oxopropyl]amino]-N-[6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=455333-66-1 (retrieved 2024-12-23) (CAS RN: 455333-66-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H59N3O8S/c1-26(44)28-14-15-29-27-12-13-31-38(32(45)19-22-40(31,3)30(27)18-21-39(28,29)2)52-25-20-34(47)42-24-8-4-6-10-33(46)41-23-9-5-7-11-37(50)51-43-35(48)16-17-36(43)49/h27-30H,4-25H2,1-3H3,(H,41,46)(H,42,47)/t27-,28+,29-,30-,39+,40+/m0/s1

InChIKey

InChIKey=XNLGAWHPZFZIKL-IZFKZPRQSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@H](C(C)=O)CC4)[H])(CCC1=C(SCCC(NCCCCCC(NCCCCCC(ON5C(=O)CCC5=O)=O)=O)=O)C(=O)CC2)[H])[H]

Canonical SMILES

O=C(ON1C(=O)CCC1=O)CCCCCNC(=O)CCCCCNC(=O)CCSC=2C(=O)CCC3(C2CCC4C3CCC5(C)C(C(=O)C)CCC45)C

Other Names for this Substance

  • Hexanamide, 6-[[3-[(3,20-dioxopregn-4-en-4-yl)thio]-1-oxopropyl]amino]-N-[6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]-

CAS INSIGHTSTM
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