β-Alanine, N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]-, compd. with O-2-deoxy-2-(methylamino)-α-L-glucopyranosyl-(1→2)-O-5-deoxy-3-C-formyl-α-L-lyxofuranosyl-(1→4)-N,N′-bis(aminoiminomethyl)-D-streptamine (1:1)

CAS Registry Number®

6227-52-7
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CAS Name

β-Alanine, N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]-, compd. with O-2-deoxy-2-(methylamino)-α-L-glucopyranosyl-(1→2)-O-5-deoxy-3-C-formyl-α-L-lyxofuranosyl-(1→4)-N,N′-bis(aminoiminomethyl)-D-streptamine (1:1)

Molecular Formula

C21H39N7O12.C9H17NO5

Cite this Page

β-Alanine, N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]-, compd. with O-2-deoxy-2-(methylamino)-α-L-glucopyranosyl-(1→2)-O-5-deoxy-3-C-formyl-α-L-lyxofuranosyl-(1→4)-N,N′-bis(aminoiminomethyl)-D-streptamine (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6227-52-7 (retrieved 2024-05-18) (CAS RN: 6227-52-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    130-135 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H39N7O12.C9H17NO5/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35;1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28);7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+;7-/m00/s1

InChIKey

InChIKey=YXIORFGPXSLCOT-FGZKHVCBSA-N

SMILES

[C@@H](C(CO)(C)C)(C(NCCC(O)=O)=O)O.O([C@H]1[C@H](O[C@@H]2[C@@H](NC(=N)N)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]2O)O[C@@H](C)[C@@]1(C=O)O)[C@H]3[C@@H](NC)[C@H](O)[C@@H](O)[C@H](CO)O3

Canonical SMILES

O=CC1(O)C(OC(OC2C(O)C(O)C(NC(=N)N)C(O)C2NC(=N)N)C1OC3OC(CO)C(O)C(O)C3NC)C.O=C(O)CCNC(=O)C(O)C(C)(C)CO

Other Names for this Substance

  • β-Alanine, N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]-, compd. with O-2-deoxy-2-(methylamino)-α-L-glucopyranosyl-(1→2)-O-5-deoxy-3-C-formyl-α-L-lyxofuranosyl-(1→4)-N,N′-bis(aminoiminomethyl)-D-streptamine (1:1)
  • Pantothenic acid, D-, compd. with streptomycin (1:1)
  • D-Streptamine, O-2-deoxy-2-(methylamino)-α-L-glucopyranosyl-(1→2)-O-5-deoxy-3-C-formyl-α-L-lyxofuranosyl-(1→4)-N,N′-bis(aminoiminomethyl)-, compd. with (R)-N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-β-alanine (1:1)
  • Pantothenic acid, compd. with streptomycin (1:1)
  • Pantothenic acid, compd. with streptomycin

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Deleted or Replaced CAS Registry Numbers

103799-65-1, 22030-17-7, 894411-27-9

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