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Substance Name: 2,5,9,12-Tetraaza-7-phosphatridecanedioic acid, 7-hydroxy-3,11-bis(1-methylethyl)-4,10-dioxo-6,8-bis(phenylmethyl)-, bis(phenylmethyl) ester, 7-oxide, (3S-(3R*,6R*,8S*,11R*))-
RN: 141396-12-5
InChIKey: NKLAQVJZOVABOV-NAQJMGRXSA-N

Molecular Formula

  • C42-H51-N4-O8-P

Molecular Weight

  • 770.8589
 
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Names and Synonyms

Synonym

  • (Cbz-Val-NHBz)2P(O)OH

Systematic Name

  • 2,5,9,12-Tetraaza-7-phosphatridecanedioic acid, 7-hydroxy-3,11-bis(1-methylethyl)-4,10-dioxo-6,8-bis(phenylmethyl)-, bis(phenylmethyl) ester, 7-oxide, (3S-(3R*,6R*,8S*,11R*))-

Registry Numbers

CAS Registry Number

  • 141396-12-5

System Generated Number

  • 0141396125

Structure Descriptors

InChI

1S/C42H51N4O8P/c1-29(2)37(45-41(49)53-27-33-21-13-7-14-22-33)39(47)43-35(25-31-17-9-5-10-18-31)55(51,52)36(26-32-19-11-6-12-20-32)44-40(48)38(30(3)4)46-42(50)54-28-34-23-15-8-16-24-34/h5-24,29-30,35-38H,25-28H2,1-4H3,(H,43,47)(H,44,48)(H,45,49)(H,46,50)(H,51,52)/t35-,36+,37-,38-/m0/s1

InChIKey

NKLAQVJZOVABOV-NAQJMGRXSA-N

Smiles

CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)P(=O)([C@@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)OCc3ccccc3)O)NC(=O)OCc4ccccc4