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Substance Name: 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((((((4-phenoxybenzoyl)hydrazono)acetyl)amino)phenylacetyl)amino)-, (2S-(2-alpha,5-alpha,6-beta(S*)))-
RN: 143729-85-5
InChIKey: DRKKLXRADJWGPK-TXRIQHHCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H29-N5-O7-S

Molecular Weight

  • 615.6641
 
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Names and Synonyms

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((((((4-phenoxybenzoyl)hydrazono)acetyl)amino)phenylacetyl)amino)-, (2S-(2-alpha,5-alpha,6-beta(S*)))-

Registry Numbers

CAS Registry Number

  • 143729-85-5

System Generated Number

  • 0143729855

Structure Descriptors

InChI

1S/C31H29N5O7S/c1-31(2)25(30(41)42)36-28(40)24(29(36)44-31)34-27(39)23(18-9-5-3-6-10-18)33-22(37)17-32-35-26(38)19-13-15-21(16-14-19)43-20-11-7-4-8-12-20/h3-17,23-25,29H,1-2H3,(H,33,37)(H,34,39)(H,35,38)(H,41,42)/b32-17+/t23?,24-,25+,29-/m1/s1

InChIKey

DRKKLXRADJWGPK-TXRIQHHCSA-N

Smiles

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(c3ccccc3)NC(=O)/C=N/NC(=O)c4ccc(cc4)Oc5ccccc5)C(=O)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD intravenous > 250mg/kg (250mg/kg)   Pharmazie. Vol. 47, Pg. 529, 1992.