3-Pyridinylmethyl (3S,5S,6S,9S)-5-hydroxy-9-(1-methylethyl)-8,11-dioxo-3,6-bis(phenylmethyl)-13-(2-pyridinyl)-12-oxa-2,7,10-triazatridecanoate

CAS Registry Number®

144141-97-9
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CAS Name

3-Pyridinylmethyl (3S,5S,6S,9S)-5-hydroxy-9-(1-methylethyl)-8,11-dioxo-3,6-bis(phenylmethyl)-13-(2-pyridinyl)-12-oxa-2,7,10-triazatridecanoate

Molecular Formula

C37H43N5O6

Molecular Mass

653.77

Cite this Page

3-Pyridinylmethyl (3S,5S,6S,9S)-5-hydroxy-9-(1-methylethyl)-8,11-dioxo-3,6-bis(phenylmethyl)-13-(2-pyridinyl)-12-oxa-2,7,10-triazatridecanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=144141-97-9 (retrieved 2024-09-19) (CAS RN: 144141-97-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H43N5O6/c1-26(2)34(42-37(46)48-25-30-17-9-10-19-39-30)35(44)41-32(21-28-14-7-4-8-15-28)33(43)22-31(20-27-12-5-3-6-13-27)40-36(45)47-24-29-16-11-18-38-23-29/h3-19,23,26,31-34,43H,20-22,24-25H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)/t31-,32-,33-,34-/m0/s1

InChIKey

InChIKey=SSIBMWPFXYSVEK-CUPIEXAXSA-N

SMILES

[C@H](CC1=CC=CC=C1)([C@H](C[C@H](CC2=CC=CC=C2)NC(OCC=3C=CC=NC3)=O)O)NC([C@@H](NC(OCC4=CC=CC=N4)=O)C(C)C)=O

Canonical SMILES

O=C(OCC1=NC=CC=C1)NC(C(=O)NC(CC=2C=CC=CC2)C(O)CC(NC(=O)OCC=3C=NC=CC3)CC=4C=CC=CC4)C(C)C

Other Names for this Substance

  • 12-Oxa-2,7,10-triazatridecanoic acid, 5-hydroxy-9-(1-methylethyl)-8,11-dioxo-3,6-bis(phenylmethyl)-13-(2-pyridinyl)-, 3-pyridinylmethyl ester, (3S,5S,6S,9S)-
  • 2-Oxa-4,7,12-triazatridecan-13-oic acid, 9-hydroxy-5-(1-methylethyl)-3,6-dioxo-8,11-bis(phenylmethyl)-1-(2-pyridinyl)-, 3-pyridinylmethyl ester, [5S-(5R*,8R*,9R*,11R*)]-
  • 2-Oxa-4,7,12-triazatridecan-13-oic acid, 9-hydroxy-5-(1-methylethyl)-3,6-dioxo-8,11-bis(phenylmethyl)-1-(2-pyridinyl)-, 3-pyridinylmethyl ester, (5S,8S,9S,11S)-
  • 3-Pyridinylmethyl (3S,5S,6S,9S)-5-hydroxy-9-(1-methylethyl)-8,11-dioxo-3,6-bis(phenylmethyl)-13-(2-pyridinyl)-12-oxa-2,7,10-triazatridecanoate
  • A 80987

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