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Substance Name: Carbamic acid, (3-methyl-1-(((6-(2,3,5,6,8,9,11,12-octahydro-7H-1,4,10,13,7-benzotetraoxaazacyclopentadecin-7-yl)-6-oxohexyl)amino)carbonyl)butyl)-, 1,1-dimethyl ester, (S)-
RN: 145611-62-7
InChIKey: UMVJOKMUUYBAEG-VWLOTQADSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H51-N3-O8

Molecular Weight

  • 593.7569
 
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Names and Synonyms

Synonym

  • N-(N'-tert-Butoxycarbonylleucyl-6-aminohexanoyl)benzoaza-15-crown-5

Systematic Name

  • Carbamic acid, (3-methyl-1-(((6-(2,3,5,6,8,9,11,12-octahydro-7H-1,4,10,13,7-benzotetraoxaazacyclopentadecin-7-yl)-6-oxohexyl)amino)carbonyl)butyl)-, 1,1-dimethyl ester, (S)-

Registry Numbers

CAS Registry Number

  • 145611-62-7

System Generated Number

  • 0145611627

Structure Descriptors

InChI

1S/C31H51N3O8/c1-24(2)23-25(33-30(37)42-31(3,4)5)29(36)32-14-10-6-7-13-28(35)34-15-17-38-19-21-40-26-11-8-9-12-27(26)41-22-20-39-18-16-34/h8-9,11-12,24-25H,6-7,10,13-23H2,1-5H3,(H,32,36)(H,33,37)/t25-/m0/s1

InChIKey

UMVJOKMUUYBAEG-VWLOTQADSA-N

Smiles

CC(C)C[C@@H](C(=O)NCCCCCC(=O)N1CCOCCOc2ccccc2OCCOCC1)NC(=O)OC(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 500mg/kg (500mg/kg)   Pharmaceutical Chemistry Journal Vol. 26, Pg. 446, 1992.