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Substance Name: L-Valine, N-(N-(4-hydroxy-1-oxo-6-phenyl-5-((N-(N-L-seryl-L-alanyl)-L-alanyl)amino)hexyl)-L-valyl)-, methyl ester, (R-(R*,S*))-
RN: 126455-01-4
InChIKey: UCDZIDGCTSCJGC-NEQFSTLYSA-N

Molecular Formula

  • C32-H52-N6-O9

Molecular Weight

  • 664.7958
 
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Names and Synonyms

Synonym

  • SAA-4-VV-OMe

Systematic Name

  • L-Valine, N-(N-(4-hydroxy-1-oxo-6-phenyl-5-((N-(N-L-seryl-L-alanyl)-L-alanyl)amino)hexyl)-L-valyl)-, methyl ester, (R-(R*,S*))-

Registry Numbers

CAS Registry Number

  • 126455-01-4

System Generated Number

  • 0126455014

Structure Descriptors

InChI

1S/C32H52N6O9/c1-17(2)26(31(45)38-27(18(3)4)32(46)47-7)37-25(41)14-13-24(40)23(15-21-11-9-8-10-12-21)36-29(43)20(6)34-28(42)19(5)35-30(44)22(33)16-39/h8-12,17-20,22-24,26-27,39-40H,13-16,33H2,1-7H3,(H,34,42)(H,35,44)(H,36,43)(H,37,41)(H,38,45)/t19-,20-,22-,23-,24+,26-,27-/m0/s1

InChIKey

UCDZIDGCTSCJGC-NEQFSTLYSA-N

Smiles

C[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](CCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)O)NC(=O)[C@H](C)NC(=O)[C@H](CO)N