1,14-Dimethyl (3S,8S,9S,12S)-6-([1,1′-biphenyl]-4-ylmethyl)-3-(1,1-dimethylethyl)-8-hydroxy-12-(1-methylethyl)-4,11-dioxo-9-(phenylmethyl)-2,5,6,10,13-pentaazatetradecanedioate

CAS Registry Number®

215312-87-1

CAS Name

1,14-Dimethyl (3S,8S,9S,12S)-6-([1,1′-biphenyl]-4-ylmethyl)-3-(1,1-dimethylethyl)-8-hydroxy-12-(1-methylethyl)-4,11-dioxo-9-(phenylmethyl)-2,5,6,10,13-pentaazatetradecanedioate

Molecular Formula

C38H51N5O7

Molecular Mass

689.84

Cite this Page

1,14-Dimethyl (3S,8S,9S,12S)-6-([1,1′-biphenyl]-4-ylmethyl)-3-(1,1-dimethylethyl)-8-hydroxy-12-(1-methylethyl)-4,11-dioxo-9-(phenylmethyl)-2,5,6,10,13-pentaazatetradecanedioate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=215312-87-1 (retrieved 2024-11-05) (CAS RN: 215312-87-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    206-207 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=BYEWWQZDUPJZHX-ZWDYZTTJSA-N

SMILES

N(CC1=CC=C(C=C1)C2=CC=CC=C2)(NC([C@@H](NC(OC)=O)[C@](C)(C)C)=O)C[C@@H]([C@H](CC3=CC=CC=C3)NC([C@@H](NC(OC)=O)C(C)C)=O)O

Canonical SMILES

O=C(OC)NC(C(=O)NC(CC=1C=CC=CC1)C(O)CN(NC(=O)C(NC(=O)OC)C(C)(C)C)CC=2C=CC(=CC2)C=3C=CC=CC3)C(C)C

Other Names for this Substance

  • 2,5,6,10,13-Pentaazatetradecanedioic acid, 6-([1,1′-biphenyl]-4-ylmethyl)-3-(1,1-dimethylethyl)-8-hydroxy-12-(1-methylethyl)-4,11-dioxo-9-(phenylmethyl)-, 1,14-dimethyl ester, (3S,8S,9S,12S)-
  • 2,5,6,10,13-Pentaazatetradecanedioic acid, 6-([1,1′-biphenyl]-4-ylmethyl)-3-(1,1-dimethylethyl)-8-hydroxy-12-(1-methylethyl)-4,11-dioxo-9-(phenylmethyl)-, dimethyl ester, (3S,8S,9S,12S)-
  • 1,14-Dimethyl (3S,8S,9S,12S)-6-([1,1′-biphenyl]-4-ylmethyl)-3-(1,1-dimethylethyl)-8-hydroxy-12-(1-methylethyl)-4,11-dioxo-9-(phenylmethyl)-2,5,6,10,13-pentaazatetradecanedioate
  • CGP 70726

Deleted or Replaced CAS Registry Numbers

191594-60-2

CAS INSIGHTSTM
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