Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: L-Glutamic acid, N-((3-beta-20-beta)-3-((N-(4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)-2-O-(N-4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)-beta-D-glucopyranuronamidosyl)-alpha-D-glucopyranuronamidosyl)oxy)-11,29-dioxoolean-12-en-29-yl)-, dimethyl ester, (S-(R*,R*))-
RN: 158109-41-2
InChIKey: FIUAWIPUZBNQLS-CJBIJOACSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C63-H95-N3-O25

Molecular Weight

  • 1294.4395
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

  • L-Glutamic acid, N-((3-beta-20-beta)-3-((N-(4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)-2-O-(N-4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)-beta-D-glucopyranuronamidosyl)-alpha-D-glucopyranuronamidosyl)oxy)-11,29-dioxoolean-12-en-29-yl)-, dimethyl ester, (S-(R*,R*))-

Registry Numbers

CAS Registry Number

  • 158109-41-2

System Generated Number

  • 0158109412

Structure Descriptors

InChI

1S/C63H95N3O25/c1-58(2)36-20-23-63(7)49(35(67)28-30-31-29-60(4,25-24-59(31,3)26-27-62(30,63)6)57(81)66-34(54(80)87-13)16-19-40(70)84-10)61(36,5)22-21-37(58)88-56-48(44(74)43(73)47(90-56)51(77)65-33(53(79)86-12)15-18-39(69)83-9)91-55-45(75)41(71)42(72)46(89-55)50(76)64-32(52(78)85-11)14-17-38(68)82-8/h28,31-34,36-37,41-49,55-56,71-75H,14-27,29H2,1-13H3,(H,64,76)(H,65,77)(H,66,81)/t31-,32-,33-,34-,36-,37-,41-,42-,43-,44-,45+,46-,47-,48+,49+,55-,56-,59+,60-,61-,62+,63+/m0/s1

InChIKey

FIUAWIPUZBNQLS-CJBIJOACSA-N

Smiles

C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)N[C@@H](CCC(=O)OC)C(=O)OC)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)N[C@@H](CCC(=O)OC)C(=O)OC)O)O)O)C)(C)C(=O)N[C@@H](CCC(=O)OC)C(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Pharmaceutical Chemistry Journal Vol. 29, Pg. 45, 1995.