Glycine, L-γ-glutamyl-3-[[2-[[3-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]-1-oxopropyl]amino]ethyl]dithio]-L-alanyl-, 5′-ester with adenosine 5′-(trihydrogen diphosphate) 3′-(dihydrogen phosphate)

CAS Registry Number®

6477-52-7

CAS Name

Glycine, L-γ-glutamyl-3-[[2-[[3-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]-1-oxopropyl]amino]ethyl]dithio]-L-alanyl-, 5′-ester with adenosine 5′-(trihydrogen diphosphate) 3′-(dihydrogen phosphate)

Molecular Formula

C31H51N10O22P3S2

Molecular Mass

1072.84

Cite this Page

Glycine, L-γ-glutamyl-3-[[2-[[3-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]-1-oxopropyl]amino]ethyl]dithio]-L-alanyl-, 5′-ester with adenosine 5′-(trihydrogen diphosphate) 3′-(dihydrogen phosphate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6477-52-7 (retrieved 2024-11-24) (CAS RN: 6477-52-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H51N10O22P3S2/c1-31(2,24(47)28(49)35-6-5-18(42)34-7-8-67-68-11-16(27(48)36-9-20(44)45)40-19(43)4-3-15(32)30(50)51)12-60-66(57,58)63-65(55,56)59-10-17-23(62-64(52,53)54)22(46)29(61-17)41-14-39-21-25(33)37-13-38-26(21)41/h13-17,22-24,29,46-47H,3-12,32H2,1-2H3,(H,34,42)(H,35,49)(H,36,48)(H,40,43)(H,44,45)(H,50,51)(H,55,56)(H,57,58)(H2,33,37,38)(H2,52,53,54)/t15-,16-,17+,22+,23+,24-,29+/m0/s1

InChIKey

InChIKey=JYKWMJBUIXNJOG-QEWSFFBISA-N

SMILES

O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSSC[C@H](NC(CC[C@@H](C(O)=O)N)=O)C(NCC(O)=O)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O

Canonical SMILES

O=C(O)CNC(=O)C(NC(=O)CCC(N)C(=O)O)CSSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)(O)O

Other Names for this Substance

  • Glycine, L-γ-glutamyl-3-[[2-[[3-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]-1-oxopropyl]amino]ethyl]dithio]-L-alanyl-, 5′-ester with adenosine 5′-(trihydrogen diphosphate) 3′-(dihydrogen phosphate)
  • Glutamine, N-[1-[(carboxymethyl)carbamoyl]-2-[[2-[3-(2,4-dihydroxy-3,3-dimethylbutyramido)propionamido]ethyl]dithio]ethyl]-, 5′-monoester with adenosine 3′-(dihydrogen phosphate) 5′-(trihydrogen pyrophosphate), L-
  • Coenzyme A glutathione disulfide
  • Glycine, N-[3-[[2-[[3-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]-1-oxopropyl]amino]ethyl]dithio]-N-L-γ-glutamyl-L-alanyl]-, 5′-ester with adenosine 5′-(trihydrogen diphosphate) 3′-(dihydrogen phosphate)
  • Coenzyme A-glutathione mixed disulfide

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Deleted or Replaced CAS Registry Numbers

2258-09-5

CAS INSIGHTSTM
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