Chemical Compound

2-Propenamide, N-(3-((4-aminobutyl)amino)-propyl)-3-(4-((4-((((2-((aminocarbonyl)amino)-4-O-(2-((aminocarbonyl)amino)-2(sup 1),3(sup 2)-anhydro-3-(carboxyamino)-2,3-dideoxy-beta-D-xylopyranosyl)-2-deoxy-alpha-D-xylopyranosyl)amino)carbonyl)amino)-2-((aminoiminomethyl)amino)-2,4,6-trideoxy-alpha-D-glucopyranosyl)oxy)phenyl)-, hydrochloride, (E)-, mixture with (E)-N-(3-((4-aminobutyl)amino)propyl)-3-(4-((4-((((2-((aminocarbonyl)amino)-4-O-(2-((aminocarbonyl)amino)-3(sup 2),4-anhydro-3-(carboxyamino)-2,3-dideoxy-beta-D-xylopyranosyl)-2-deoxy-alpha-D-xylopyranosyl)amino)carbonyl)amino)-2-((aminoiminomethyl)amino)-2,4,6-trideoxy-alpha-D-glucopyranosyl)oxy)phenyl)-2-propenamide hydrochloride

CAS Registry Number 68782-58-1
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2-Propenamide, N-(3-((4-aminobutyl)amino)-propyl)-3-(4-((4-((((2-((aminocarbonyl)amino)-4-O-(2-((aminocarbonyl)amino)-2(sup 1),3(sup 2)-anhydro-3-(carboxyamino)-2,3-dideoxy-beta-D-xylopyranosyl)-2-deoxy-alpha-D-xylopyranosyl)amino)carbonyl)amino)-2-((aminoiminomethyl)amino)-2,4,6-trideoxy-alpha-D-glucopyranosyl)oxy)phenyl)-, hydrochloride, (E)-, mixture with (E)-N-(3-((4-aminobutyl)amino)propyl)-3-(4-((4-((((2-((aminocarbonyl)amino)-4-O-(2-((aminocarbonyl)amino)-3(sup 2),4-anhydro-3-(carboxyamino)-2,3-dideoxy-beta-D-xylopyranosyl)-2-deoxy-alpha-D-xylopyranosyl)amino)carbonyl)amino)-2-((aminoiminomethyl)amino)-2,4,6-trideoxy-alpha-D-glucopyranosyl)oxy)phenyl)-2-propenamide hydrochloride 结构式
Primary record

2-Propenamide, N-(3-((4-aminobutyl)amino)-propyl)-3-(4-((4-((((2-((aminocarbonyl)amino)-4-O-(2-((aminocarbonyl)amino)-2(sup 1),3(sup 2)-anhydro-3-(carboxyamino)-2,3-dideoxy-beta-D-xylopyranosyl)-2-deoxy-alpha-D-xylopyranosyl)amino)carbonyl)amino)-2-((aminoiminomethyl)amino)-2,4,6-trideoxy-alpha-D-glucopyranosyl)oxy)phenyl)-, hydrochloride, (E)-, mixture with (E)-N-(3-((4-aminobutyl)amino)propyl)-3-(4-((4-((((2-((aminocarbonyl)amino)-4-O-(2-((aminocarbonyl)amino)-3(sup 2),4-anhydro-3-(carboxyamino)-2,3-dideoxy-beta-D-xylopyranosyl)-2-deoxy-alpha-D-xylopyranosyl)amino)carbonyl)amino)-2-((aminoiminomethyl)amino)-2,4,6-trideoxy-alpha-D-glucopyranosyl)oxy)phenyl)-2-propenamide hydrochloride

库存
5,813 克
纯度
99.7 %
CAS
68782-58-1

化合物标识与属性

CAS
68782-58-1
PubChem CID
11980097
SMILES
C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC2=CC=C(C=C2)/C=C/C(=O)NCCCNCCCCN)N=C(N)N)O)OC(=O)N[C@@H]3[C@@H]([C@H]([C@@H](CO3)O[C@H]4[C@@H]([C@@H]5[C@@H](CO4)OC(=O)N5)NC(=O)N)O)NC(=O)N.C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC2=CC=C(C=C2)/C=C/C(=O)NCCCNCCCCN)N=C(N)N)O)OC(=O)N[C@@H]3[C@@H]([C@H]([C@@H](CO3)O[C@H]4[C@H]5[C@H]([C@@H](CO4)O)NC(=O)N5C(=O)N)O)NC(=O)N
Canonical SMILES
C[C@H]1O[C@H](Oc2ccc(/C=C/C(=O)NCCCNCCCCN)cc2)[C@H](N=C(N)N)[C@@H](O)[C@@H]1OC(=O)N[C@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@@H]3NC(=O)N(C(N)=O)[C@@H]23)[C@H](O)[C@H]1NC(N)=O.C[C@H]1O[C@H](Oc2ccc(/C=C/C(=O)NCCCNCCCCN)cc2)[C@H](N=C(N)N)[C@@H](O)[C@@H]1OC(=O)N[C@H]1OC[C@@H](O[C@@H]2OC[C@H]3OC(=O)N[C@@H]3[C@H]2NC(N)=O)[C@H](O)[C@H]1NC(N)=O

名称与同义词

  • Cinodine hydrochloride
  • Cinodine HCl
  • UNII-TSS78NQ74G
  • RefChem:918667
  • TSS78NQ74G
  • Cinodine hydrochloride [USAN]
  • C37H59N13O13.ClH
  • CL 98984
  • Antibiotic BM 123gamma hydrochloride
  • C37-H59-N13-O13.Cl-H
  • CL-98984
  • 68782-58-1
  • [(2R,3S,4R,5R,6R)-6-[4-[(E)-3-[3-(4-aminobutylamino)propylamino]-3-oxoprop-1-enyl]phenoxy]-5-(diaminomethylideneamino)-4-hydroxy-2-methyloxan-3-yl] N-[(2S,3R,4R,5R)-5-[[(3aS,6S,7R,7aR)-7-(carbamoylamino)-2-oxo-1,3a,4,6,7,7a-hexahydropyrano[4,3-d][1,3]oxazol-6-yl]oxy]-3-(carbamoylamino)-4-hydroxyoxan-2-yl]carbamate;[(2R,3S,4R,5R,6R)-6-[4-[(E)-3-[3-(4-aminobutylamino)propylamino]-3-oxoprop-1-enyl]phenoxy]-5-(diaminomethylideneamino)-4-hydroxy-2-methyloxan-3-yl] N-[(2S,3R,4R,5R)-5-[[(3aR,4S,7S,7aR)-3-carbamoyl-7-hydroxy-2-oxo-1,3a,4,6,7,7a-hexahydropyrano[3,4-d]imidazol-4-yl]oxy]-3-(carbamoylamino)-4-hydroxyoxan-2-yl]carbamate
  • (E)-N-(3-((4-Aminobutyl)amino)propyl)-p-((4-(3-(4-O-(2,3-(1-carbamoylureylene)-2,3-dideoxy-beta-D-xylopyranosyl)-2-deoxy-2-ureido-alpha-D-xylopyranosyl)ureido)-2,4,6-trideoxy-2-guanidino-alpha-D-glucopyranosyl)oxy)cinnamamide hydrochloride mixture with (E)-N-(3-(4-aminobutyl)amino)propyl)-p-((4-(3-(4-O-(3-(carboxyamino)-2,3-dideoxy-2-ureido-beta-D-xylopyranosyl)-2-deoxy-2-ureido-alpha-D-xylopyranosyl)ureido)-2,4,6-trideoxy-2-guanidino-alpha-D-glucopyranosyl)oxy)cinnamamide intramolecular 3''',4'''-ester hydrochloride
  • 2-Propenamide, N-(3-((4-aminobutyl)amino)-propyl)-3-(4-((4-((((2-((aminocarbonyl)amino)-4-O-(2-((aminocarbonyl)amino)-2(sup 1),3(sup 2)-anhydro-3-(carboxyamino)-2,3-dideoxy-beta-D-xylopyranosyl)-2-deoxy-alpha-D-xylopyranosyl)amino)carbonyl)amino)-2-((aminoiminomethyl)amino)-2,4,6-trideoxy-alpha-D-glucopyranosyl)oxy)phenyl)-, hydrochloride, (E)-, mixture with (E)-N-(3-((4-aminobutyl)amino)propyl)-3-(4-((4-((((2-((aminocarbonyl)amino)-4-O-(2-((aminocarbonyl)amino)-3(sup 2),4-anhydro-3-(carboxyamino)-2,3-dideoxy-beta-D-xylopyranosyl)-2-deoxy-alpha-D-xylopyranosyl)amino)carbonyl)amino)-2-((aminoiminomethyl)amino)-2,4,6-trideoxy-alpha-D-glucopyranosyl)oxy)phenyl)-2-propenamide hydrochloride