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Substance Name: 2,5,10,13-Tetraazatetradecanediamide, 7-hydroxy-N,N'-dimethyl-3,12-bis(1-methylethyl)-4,11-dioxo-6,9-bis(phenylmethyl)-N,N'-bis(2-pyridinylmethyl)-, (3S,6S,7S,9S,12S)-
RN: 144141-70-8
InChIKey: KTXGTJRUYOGULA-HECCNADXSA-N

Molecular Formula

  • C44-H58-N8-O5

Molecular Weight

  • 778.9932
 
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Names and Synonyms

Synonyms

  • 2,5,10,13-Tetraazatetradecanediamide, 7-hydroxy-N,N'-dimethyl-3,12-bis(1-methylethyl)-4,11-dioxo-6,9-bis(phenylmethyl)-N,N'-bis(2-pyridinylmethyl)-, (3S-(3R*,6R*,7R*,9R*,12R*))-
  • 2,5-Diamino-2N,5N-bis(N-methyl-2-pyridylmethylaminocarbonylvalyl)-1,6-diphenyl-
  • A-78791

Systematic Name

  • 2,5,10,13-Tetraazatetradecanediamide, 7-hydroxy-N,N'-dimethyl-3,12-bis(1-methylethyl)-4,11-dioxo-6,9-bis(phenylmethyl)-N,N'-bis(2-pyridinylmethyl)-, (3S,6S,7S,9S,12S)-

Registry Numbers

CAS Registry Number

  • 144141-70-8

System Generated Number

  • 0144141708

Structure Descriptors

InChI

1S/C44H58N8O5/c1-30(2)39(49-43(56)51(5)28-34-21-13-15-23-45-34)41(54)47-36(25-32-17-9-7-10-18-32)27-38(53)37(26-33-19-11-8-12-20-33)48-42(55)40(31(3)4)50-44(57)52(6)29-35-22-14-16-24-46-35/h7-24,30-31,36-40,53H,25-29H2,1-6H3,(H,47,54)(H,48,55)(H,49,56)(H,50,57)/t36-,37-,38-,39-,40-/m0/s1

InChIKey

KTXGTJRUYOGULA-HECCNADXSA-N

Smiles

CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)N(C)Cc3ccccn3)C(C)C)Cc4ccccc4