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Substance Name: 7-(N-Benzyloxycarbonyl-beta-benzylaspartyl-prolyl-leucyl)amino-4-methylcoumarin
RN: 97792-42-2
InChIKey: PWEAQFUWRQWRMO-GJPDKWCJSA-N

Molecular Formula

  • C40-H44-N4-O9

Molecular Weight

  • 724.807
 
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Names and Synonyms

Name of Substance

  • 7-(N-Benzyloxycarbonyl-beta-benzylaspartyl-prolyl-leucyl)amino-4-methylcoumarin

Synonym

  • 7-Z-B-Asp-pro-leu-ME

Systematic Name

  • L-Leucinamide, N-((phenylmethoxy)carbonyl)-L-alpha-aspartyl-L-prolyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, phenylmethyl ester

Registry Numbers

CAS Registry Number

  • 97792-42-2

System Generated Number

  • 0097792422

Structure Descriptors

InChI

1S/C40H44N4O9/c1-4-25(2)36(38(48)41-29-17-18-30-26(3)20-35(46)53-33(30)21-29)43-37(47)32-16-11-19-44(32)39(49)31(22-34(45)51-23-27-12-7-5-8-13-27)42-40(50)52-24-28-14-9-6-10-15-28/h5-10,12-15,17-18,20-21,25,31-32,36H,4,11,16,19,22-24H2,1-3H3,(H,41,48)(H,42,50)(H,43,47)/t25?,31-,32-,36+/m0/s1

InChIKey

PWEAQFUWRQWRMO-GJPDKWCJSA-N

Smiles

C1CN(C([C@@H](NC(=O)OCc2ccccc2)CC(=O)OCc2ccccc2)=O)[C@@H](C1)C(N[C@@H](C(Nc1ccc2c(c1)oc(cc2C)=O)=O)[C@@H](C)CC)=O