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Substance Name: L-Isoleucine, N-(1-(3-((N2-(N-acetyl-L-leucyl)-L-asparaginyl)amino)-2-hydroxy-4-phenylbutyl)-L-prolyl)-, methyl ester, (S-(R*,R*))-
RN: 127231-47-4
InChIKey: MRGMYFNMOQANPK-YYNHRMGXSA-N

Molecular Formula

  • C34-H54-N6-O8

Molecular Weight

  • 674.8346
 
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Names and Synonyms

Synonym

  • AcLeuAsnPhe(CHOHCH2)ProIleOMe

Systematic Name

  • L-Isoleucine, N-(1-(3-((N2-(N-acetyl-L-leucyl)-L-asparaginyl)amino)-2-hydroxy-4-phenylbutyl)-L-prolyl)-, methyl ester, (S-(R*,R*))-

Registry Numbers

CAS Registry Number

  • 127231-47-4

System Generated Number

  • 0127231474

Structure Descriptors

InChI

1S/C34H54N6O8/c1-7-21(4)30(34(47)48-6)39-33(46)27-14-11-15-40(27)19-28(42)24(17-23-12-9-8-10-13-23)37-32(45)26(18-29(35)43)38-31(44)25(16-20(2)3)36-22(5)41/h8-10,12-13,20-21,24-28,30,42H,7,11,14-19H2,1-6H3,(H2,35,43)(H,36,41)(H,37,45)(H,38,44)(H,39,46)/t21-,24-,25-,26-,27-,28-,30-/m0/s1

InChIKey

MRGMYFNMOQANPK-YYNHRMGXSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)OC)NC(=O)[C@@H]1CCCN1C[C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)C)O