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Substance Name: Glycinamide, N-methyl-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-phenyl-, trihydrate, (2S-(2-alpha,5-alpha,6-beta))-
RN: 63393-05-5
InChIKey: AQQQGHUHGWKYAY-QYOUTUSWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H27-N5-O6-S.3H2-O

Molecular Weight

  • 477.5393
 
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Names and Synonyms

  • Glycinamide, N-methyl-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-phenyl-, trihydrate, (2S-(2-alpha,5-alpha,6-beta))-

Registry Numbers

CAS Registry Number

  • 63393-05-5

System Generated Number

  • 0063393055

Molecular Formulas

Molecular Formula

  • C21-H27-N5-O6-S.3H2-O

Molecular Formula Fragments

  • C21-H27-N5-O6-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C21H27N5O6S/c1-21(2)15(20(31)32)26-18(30)14(19(26)33-21)24-13(10-7-5-4-6-8-10)17(29)25-16(28)11(23-3)9-12(22)27/h4-8,11,13-15,19,23-24H,9H2,1-3H3,(H2,22,27)(H,31,32)(H,25,28,29)/t11-,13+,14?,15?,19?/m1/s1

InChIKey

AQQQGHUHGWKYAY-QYOUTUSWSA-N

Smiles

CC1(C(N2C(S1)C(C2=O)N[C@@H](c3ccccc3)C(=O)NC(=O)[C@@H](CC(=O)N)NC)C(=O)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 2280mg/kg (2280mg/kg)   Japanese Journal of Antibiotics. Vol. 40, Pg. 1221, 1987.