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Substance Name: 2,5,10,13-Tetraazatetradecanedioic acid, 7,8-dihydroxy-6,9-bis((4-hydroxyphenyl)methyl)-3,12-bis(1-methylethyl)-4,11-dioxo-, bis(phenylmethyl) ester, (3S,6S,7R,8R,9S,12S))-
RN: 152020-33-2
InChIKey: ZHMWHURXFUBBNZ-RRUVMKMCSA-N

Molecular Formula

  • C44-H54-N4-O10

Molecular Weight

  • 798.9286
 
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Names and Synonyms

Synonym

  • (Cbz-Val-Tyr-psi(CHOH))2

Systematic Name

  • 2,5,10,13-Tetraazatetradecanedioic acid, 7,8-dihydroxy-6,9-bis((4-hydroxyphenyl)methyl)-3,12-bis(1-methylethyl)-4,11-dioxo-, bis(phenylmethyl) ester, (3S,6S,7R,8R,9S,12S))-

Registry Numbers

CAS Registry Number

  • 152020-33-2

System Generated Number

  • 0152020332

Structure Descriptors

InChI

1S/C44H54N4O10/c1-27(2)37(47-43(55)57-25-31-11-7-5-8-12-31)41(53)45-35(23-29-15-19-33(49)20-16-29)39(51)40(52)36(24-30-17-21-34(50)22-18-30)46-42(54)38(28(3)4)48-44(56)58-26-32-13-9-6-10-14-32/h5-22,27-28,35-40,49-52H,23-26H2,1-4H3,(H,45,53)(H,46,54)(H,47,55)(H,48,56)/t35-,36-,37-,38-,39+,40+/m0/s1

InChIKey

ZHMWHURXFUBBNZ-RRUVMKMCSA-N

Smiles

CC(C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)[C@H]([C@@H]([C@H](Cc2ccc(cc2)O)NC(=O)[C@H](C(C)C)NC(=O)OCc3ccccc3)O)O)NC(=O)OCc4ccccc4