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®
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.C9H17NO5Cite 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 ) (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
Deleted or Replaced CAS Registry Numbers
103799-65-1, 22030-17-7, 894411-27-9