Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2,5,6,10,13-Pentaazatetradecanedioic acid, 12-(1,1-dimethylethyl)-8-hydroxy-3-((methylthio)methyl)-4,11-dioxo-9-(phenylmethyl)-6-((4-(5-thiazolyl)phenyl)methyl)-, dimethyl ester, (3S-(3R*,8R*,9R*,12R*))-
RN: 198903-90-1
InChIKey: JLPZXFZEWVTNFC-PFWSVGDOSA-N

Molecular Formula

  • C34-H46-N6-O7-S2

Molecular Weight

  • 714.9044
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • 1-(4-(Thiazol-5-yl)-phenyl)-4(S)-hydroxy-2-N-(N-methoxycarbonyl-(L)-S-methylcysteinyl)amino)-5(S)-N-(N-methoxycarbonyl-(L)-tert-leucyl)amino-6-phenyl-2-azahexane

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 198903-90-1

System Generated Number

  • 0198903901

Structure Descriptors

InChI

1S/C34H46N6O7S2/c1-34(2,3)29(38-33(45)47-5)31(43)36-25(16-22-10-8-7-9-11-22)27(41)19-40(39-30(42)26(20-48-6)37-32(44)46-4)18-23-12-14-24(15-13-23)28-17-35-21-49-28/h7-15,17,21,25-27,29,41H,16,18-20H2,1-6H3,(H,36,43)(H,37,44)(H,38,45)(H,39,42)/t25-,26-,27-,29+/m0/s1

InChIKey

JLPZXFZEWVTNFC-PFWSVGDOSA-N

Smiles

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