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Substance Name: L-Valinamide, N4-(3-methyl-N-((phenylmethoxy)carbonyl)-L-valyl)-4-amino-2,4,5-trideoxy-2-(((4-methoxyphenyl)methyl)amino)-5-phenyl-L-lyxonoyl-N-((2-hydroxy-4-methoxyphenyl)methyl)-3-methyl-
RN: 169305-68-4
InChIKey: PGMMKCARJZOKQO-CKUGIDDRSA-N

Molecular Formula

  • C47-H61-N5-O9

Molecular Weight

  • 840.0249
 
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Names and Synonyms

Synonym

  • (2R,3S,4S)-N-(4-((N-((Benzyloxy)carbonyl)tert.leucinyl)amino)-3-hydroxy-2-(4-methoxy-benzylamino)-5-phenylpentanoyl)tert.leucine 2-hydroxy-4-methoxy-benzylamide

Systematic Name

  • L-Valinamide, N4-(3-methyl-N-((phenylmethoxy)carbonyl)-L-valyl)-4-amino-2,4,5-trideoxy-2-(((4-methoxyphenyl)methyl)amino)-5-phenyl-L-lyxonoyl-N-((2-hydroxy-4-methoxyphenyl)methyl)-3-methyl-

Registry Numbers

CAS Registry Number

  • 169305-68-4

System Generated Number

  • 0169305684

Structure Descriptors

InChI

1S/C47H61N5O9/c1-46(2,3)40(43(56)49-28-33-21-24-35(60-8)26-37(33)53)51-42(55)38(48-27-31-19-22-34(59-7)23-20-31)39(54)36(25-30-15-11-9-12-16-30)50-44(57)41(47(4,5)6)52-45(58)61-29-32-17-13-10-14-18-32/h9-24,26,36,38-41,48,53-54H,25,27-29H2,1-8H3,(H,49,56)(H,50,57)(H,51,55)(H,52,58)/t36-,38+,39+,40+,41+/m0/s1

InChIKey

PGMMKCARJZOKQO-CKUGIDDRSA-N

Smiles

CC(C)(C)[C@@H](C(=O)NCc1ccc(cc1O)OC)NC(=O)[C@@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)OCc3ccccc3)O)NCc4ccc(cc4)OC