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Substance Name: 2,5,6,10,13-Pentaazatetradecanedioic acid, 8-hydroxy-3,12-bis(1-methylethyl)-4,11-dioxo-9-(phenylmethyl)-6-((4-(5-thiazolyl)phenyl)methyl)-, dimethyl ester, (3S,8S,9S,12S)-
RN: 198903-86-5
InChIKey: BCSCPTFLLCLSSZ-ZHTHUIBPSA-N

Molecular Formula

  • C34-H46-N6-O7-S

Molecular Weight

  • 682.8384
 
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Names and Synonyms

  • 2,5,6,10,13-Pentaazatetradecanedioic acid, 8-hydroxy-3,12-bis(1-methylethyl)-4,11-dioxo-9-(phenylmethyl)-6-((4-(5-thiazolyl)phenyl)methyl)-, dimethyl ester, (3S,8S,9S,12S)-

Registry Numbers

CAS Registry Number

  • 198903-86-5

System Generated Number

  • 0198903865

Structure Descriptors

InChI

1S/C34H46N6O7S/c1-21(2)29(37-33(44)46-5)31(42)36-26(16-23-10-8-7-9-11-23)27(41)19-40(39-32(43)30(22(3)4)38-34(45)47-6)18-24-12-14-25(15-13-24)28-17-35-20-48-28/h7-15,17,20-22,26-27,29-30,41H,16,18-19H2,1-6H3,(H,36,42)(H,37,44)(H,38,45)(H,39,43)/t26-,27-,29-,30-/m0/s1

InChIKey

BCSCPTFLLCLSSZ-ZHTHUIBPSA-N

Smiles

CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc2ccc(cc2)c3cncs3)NC(=O)[C@H](C(C)C)NC(=O)OC)O)NC(=O)OC