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Substance Name: 2,5,10,13-Tetraaza-7-phosphatetradecanedioic acid, 7-ethoxy-8-hydroxy-3,12-bis(1-methylethyl)-4,11-dioxo-6,9-bis(phenylmethyl)-, bis(phenylmethyl) ester, 7-oxide
RN: 146063-29-8
InChIKey: CJXVNUDJJMYDLS-FXPGPNBMSA-N

Molecular Formula

  • C45-H57-N4-O9-P

Molecular Weight

  • 828.9383
 
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Names and Synonyms

Synonym

  • Bis(Cbz-Val-Phe)phosphinate isostere

Systematic Name

  • 2,5,10,13-Tetraaza-7-phosphatetradecanedioic acid, 7-ethoxy-8-hydroxy-3,12-bis(1-methylethyl)-4,11-dioxo-6,9-bis(phenylmethyl)-, bis(phenylmethyl) ester, 7-oxide

Registry Numbers

CAS Registry Number

  • 146063-29-8

System Generated Number

  • 0146063298

Structure Descriptors

InChI

1S/C45H57N4O9P/c1-6-58-59(55,38(28-34-21-13-8-14-22-34)47-42(51)40(32(4)5)49-45(54)57-30-36-25-17-10-18-26-36)43(52)37(27-33-19-11-7-12-20-33)46-41(50)39(31(2)3)48-44(53)56-29-35-23-15-9-16-24-35/h7-26,31-32,37-40,43,52H,6,27-30H2,1-5H3,(H,46,50)(H,47,51)(H,48,53)(H,49,54)/t37?,38?,39-,40-,43?,59?/m0/s1

InChIKey

CJXVNUDJJMYDLS-FXPGPNBMSA-N

Smiles

CCOP(=O)(C(Cc1ccccc1)NC(=O)[C@H](C(C)C)NC(=O)OCc2ccccc2)C(C(Cc3ccccc3)NC(=O)[C@H](C(C)C)NC(=O)OCc4ccccc4)O