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Substance Name: 2,5,6,10,13-Pentaazatetradecanedioic acid, 8-hydroxy-3-(1-methylethyl)-12-(1-methylpropyl)-4,11-dioxo-9-(phenylmethyl)-6-((4-(2-thiazolyl)phenyl)methyl)-, 1-ethyl 14-methyl ester, (3S-(3R*,8R*,9R*,12R*(R*)))-
RN: 198904-07-3
InChIKey: RXJJAKDIALJUGM-WWMNZPEASA-N

Molecular Formula

  • C36-H50-N6-O7-S

Molecular Weight

  • 710.892
 
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Names and Synonyms

Synonym

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

Systematic Name

  • 2,5,6,10,13-Pentaazatetradecanedioic acid, 8-hydroxy-3-(1-methylethyl)-12-(1-methylpropyl)-4,11-dioxo-9-(phenylmethyl)-6-((4-(2-thiazolyl)phenyl)methyl)-, 1-ethyl 14-methyl ester, (3S-(3R*,8R*,9R*,12R*(R*)))-

Registry Numbers

CAS Registry Number

  • 198904-07-3

System Generated Number

  • 0198904073

Structure Descriptors

InChI

1S/C36H50N6O7S/c1-7-24(5)31(40-35(46)48-6)32(44)38-28(20-25-12-10-9-11-13-25)29(43)22-42(41-33(45)30(23(3)4)39-36(47)49-8-2)21-26-14-16-27(17-15-26)34-37-18-19-50-34/h9-19,23-24,28-31,43H,7-8,20-22H2,1-6H3,(H,38,44)(H,39,47)(H,40,46)(H,41,45)/t24-,28-,29-,30-,31-/m0/s1

InChIKey

RXJJAKDIALJUGM-WWMNZPEASA-N

Smiles

CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc2ccc(cc2)c3nccs3)NC(=O)[C@H](C(C)C)NC(=O)OCC)O)NC(=O)OC