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Substance Name: L-Isoleucine, N-(1-(3-((N2-(N-acetyl-L-leucyl)-L-asparaginyl)amino)-2-hydroxy-5-methylhexyl)-L-prolyl)-, methyl ester, (S-(R*,R*))-
RN: 127231-51-0
InChIKey: IEPNUSNRWKGSSK-FXCIBJTHSA-N

Molecular Formula

  • C31-H56-N6-O8

Molecular Weight

  • 640.8174
 
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Names and Synonyms

Synonyms

  • (N-(AcetylLeuAsn)-3-amino-2-hydroxy-5-methylhexyl)ProIsoleucine methyl ester
  • AcLeuAsnLeu(CHOHCH2)ProIleOMe

Systematic Name

  • L-Isoleucine, N-(1-(3-((N2-(N-acetyl-L-leucyl)-L-asparaginyl)amino)-2-hydroxy-5-methylhexyl)-L-prolyl)-, methyl ester, (S-(R*,R*))-

Registry Numbers

CAS Registry Number

  • 127231-51-0

System Generated Number

  • 0127231510

Structure Descriptors

InChI

1S/C31H56N6O8/c1-9-19(6)27(31(44)45-8)36-30(43)24-11-10-12-37(24)16-25(39)21(13-17(2)3)34-29(42)23(15-26(32)40)35-28(41)22(14-18(4)5)33-20(7)38/h17-19,21-25,27,39H,9-16H2,1-8H3,(H2,32,40)(H,33,38)(H,34,42)(H,35,41)(H,36,43)/t19-,21-,22-,23-,24-,25-,27-/m0/s1

InChIKey

IEPNUSNRWKGSSK-FXCIBJTHSA-N

Smiles

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