Hexanoic acid, 6-[[6-[[3-[(3,20-dioxopregn-4-en-4-yl)thio]-1-oxopropyl]amino]-1-oxohexyl]amino]-

CAS Registry Number®

455333-65-0

CAS Name

Hexanoic acid, 6-[[6-[[3-[(3,20-dioxopregn-4-en-4-yl)thio]-1-oxopropyl]amino]-1-oxohexyl]amino]-

Molecular Formula

C36H56N2O6S

Molecular Mass

644.90

Cite this Page

Hexanoic acid, 6-[[6-[[3-[(3,20-dioxopregn-4-en-4-yl)thio]-1-oxopropyl]amino]-1-oxohexyl]amino]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=455333-65-0 (retrieved 2024-11-25) (CAS RN: 455333-65-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H56N2O6S/c1-24(39)26-14-15-27-25-12-13-29-34(30(40)17-20-36(29,3)28(25)16-19-35(26,27)2)45-23-18-32(42)38-22-8-4-6-10-31(41)37-21-9-5-7-11-33(43)44/h25-28H,4-23H2,1-3H3,(H,37,41)(H,38,42)(H,43,44)/t25-,26+,27-,28-,35+,36+/m0/s1

InChIKey

InChIKey=NOHRZHUXQCKVEO-WNAGJTSSSA-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(O)=O)=O)=O)C(=O)CC2)[H])[H]

Canonical SMILES

O=C(O)CCCCCNC(=O)CCCCCNC(=O)CCSC=1C(=O)CCC2(C1CCC3C2CCC4(C)C(C(=O)C)CCC34)C

Other Names for this Substance

  • Hexanoic acid, 6-[[6-[[3-[(3,20-dioxopregn-4-en-4-yl)thio]-1-oxopropyl]amino]-1-oxohexyl]amino]-

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