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Substance Name: 2,5,6,10,13-Pentaazatetradecanedioic acid, 6-((1,1'-biphenyl)-4-ylmethyl)-12-(1,1-dimethylethyl)-8-hydroxy-3-(1-methylethyl)-4,11-dioxo-9-(phenylmethyl)-, dimethyl ester, (3S,8S,9S,12S)-
RN: 191594-61-3
InChIKey: DXYWQVONJOEGHT-ZWDYZTTJSA-N

Molecular Formula

  • C38-H51-N5-O7

Molecular Weight

  • 689.8489
 
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Names and Synonyms

  • 2,5,6,10,13-Pentaazatetradecanedioic acid, 6-((1,1'-biphenyl)-4-ylmethyl)-12-(1,1-dimethylethyl)-8-hydroxy-3-(1-methylethyl)-4,11-dioxo-9-(phenylmethyl)-, dimethyl ester, (3S,8S,9S,12S)-

Registry Numbers

CAS Registry Number

  • 191594-61-3

System Generated Number

  • 0191594613

Structure Descriptors

InChI

1S/C38H51N5O7/c1-25(2)32(40-36(47)49-6)34(45)42-43(23-27-18-20-29(21-19-27)28-16-12-9-13-17-28)24-31(44)30(22-26-14-10-8-11-15-26)39-35(46)33(38(3,4)5)41-37(48)50-7/h8-21,25,30-33,44H,22-24H2,1-7H3,(H,39,46)(H,40,47)(H,41,48)(H,42,45)/t30-,31-,32-,33+/m0/s1

InChIKey

DXYWQVONJOEGHT-ZWDYZTTJSA-N

Smiles

CC(C)[C@@H](C(=O)NN(Cc1ccc(cc1)c2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC