β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, (R)-, compd. with viomycin, sulfate (salt) (1:1:1)

CAS Registry Number®

1401-79-2

CAS Name

β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, (R)-, compd. with viomycin, sulfate (salt) (1:1:1)

Molecular Formula

C25H43N13O10.C9H17NO5.H2O4S

Cite this Page

β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, (R)-, compd. with viomycin, sulfate (salt) (1:1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1401-79-2 (retrieved 2024-12-27) (CAS RN: 1401-79-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    242 °C (decomp)

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C25H43N13O10.C9H17NO5.H2O4S/c26-3-1-2-10(27)4-16(41)32-12-6-30-23(47)18(11-5-17(42)37-24(28)36-11)38-20(44)13(7-31-25(29)48)33-21(45)14(8-39)35-22(46)15(9-40)34-19(12)43;1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;1-5(2,3)4/h7,10-12,14-15,17-18,39-40,42H,1-6,8-9,26-27H2,(H,30,47)(H,32,41)(H,33,45)(H,34,43)(H,35,46)(H,38,44)(H3,28,36,37)(H3,29,31,48);7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);(H2,1,2,3,4)/b13-7-;;/t10-,11+,12-,14-,15-,17-,18-;7-;/m00./s1

InChIKey

InChIKey=VQGRPWQSNMEBHD-YQQOEYNUSA-N

SMILES

O=C1[C@]([C@]2(C[C@H](O)N=C(N)N2)[H])(NC(=O)\C(=C\NC(N)=O)\NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(C[C@H](CCCN)N)=O)CN1)[H].S(=O)(=O)(O)O.[C@@H](C(CO)(C)C)(C(NCCC(O)=O)=O)O

Canonical SMILES

O=C(N)NC=C1NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CC(N)CCCN)CNC(=O)C(NC1=O)C2NC(=NC(O)C2)N)CO)CO.O=C(O)CCNC(=O)C(O)C(C)(C)CO.O=S(=O)(O)O

Other Names for this Substance

  • β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, (R)-, compd. with viomycin, sulfate (salt) (1:1:1)
  • Viomycin pantothenate
  • 1,4,7,10,13-Pentaazahexadecane, cyclic peptide deriv.
  • Viomycin, compd. with N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-β-alanine, sulfate (salt) (1:1:1)
  • Viomycin Pantothenate Sulfate

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