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Substance Name: Butyloxycarbonyl-tryptophyl-methionyl-aspartyl-phenylalaninamide
RN: 5235-21-2
InChIKey: DDROKKYSSQPXQO-DUNLCCOXSA-N

Molecular Formula

  • C34-H44-N6-O8-S

Molecular Weight

  • 696.822
 
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Names and Synonyms

Name of Substance

  • Butyloxycarbonyl-tryptophyl-methionyl-aspartyl-phenylalaninamide

Synonym

  • EINECS 226-032-7

Systematic Name

  • tert-Butyl L-tryptophyl-L-methionyl-L-alpha-aspartyl-3-phenyl-L-alaninamidoformate

Registry Numbers

CAS Registry Number

  • 5235-21-2

System Generated Number

  • 0005235212

Structure Descriptors

InChI

1S/C34H44N6O8S/c1-34(2,3)48-33(47)40-26(17-21-19-36-23-13-9-8-12-22(21)23)31(45)37-24(14-15-49-4)30(44)39-27(18-28(41)42)32(46)38-25(29(35)43)16-20-10-6-5-7-11-20/h5-13,19,24-27,36H,14-18H2,1-4H3,(H2,35,43)(H,37,45)(H,38,46)(H,39,44)(H,40,47)(H,41,42)/t24-,25-,26?,27-/m0/s1

InChIKey

DDROKKYSSQPXQO-DUNLCCOXSA-N

Smiles

c1(C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC([C@@H](Cc2c[nH]c3c2cccc3)NC(OC(C)(C)C)=O)=O)CCSC)CC(O)=O)C(=O)N)ccccc1