C,C′-Dimethyl N,N′-[tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene-5,11-diylbis[1H-benzimidazole-6,2-diyl[(2S,3aS,7aS)-octahydro-1H-indole-2,1-diyl][(1S)-1-(1-methylethyl)-2-oxo-2,1-ethanediyl]]]bis[carbamate]

CAS Registry Number®

1415119-52-6

CAS Name

C,C′-Dimethyl N,N′-[tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene-5,11-diylbis[1H-benzimidazole-6,2-diyl[(2S,3aS,7aS)-octahydro-1H-indole-2,1-diyl][(1S)-1-(1-methylethyl)-2-oxo-2,1-ethanediyl]]]bis[carbamate]

Molecular Formula

C60H72N8O6

Molecular Mass

1001.26

Cite this Page

C,C′-Dimethyl N,N′-[tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene-5,11-diylbis[1H-benzimidazole-6,2-diyl[(2S,3aS,7aS)-octahydro-1H-indole-2,1-diyl][(1S)-1-(1-methylethyl)-2-oxo-2,1-ethanediyl]]]bis[carbamate].   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1415119-52-6 (retrieved 2024-11-21) (CAS RN: 1415119-52-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C60H72N8O6/c1-33(2)53(65-59(71)73-5)57(69)67-49-13-9-7-11-41(49)31-51(67)55-61-45-25-23-39(29-47(45)63-55)43-27-35-15-19-37(43)21-17-36-16-20-38(22-18-35)44(28-36)40-24-26-46-48(30-40)64-56(62-46)52-32-42-12-8-10-14-50(42)68(52)58(70)54(34(3)4)66-60(72)74-6/h15-16,19-20,23-30,33-34,41-42,49-54H,7-14,17-18,21-22,31-32H2,1-6H3,(H,61,63)(H,62,64)(H,65,71)(H,66,72)/t41-,42-,49-,50-,51-,52-,53-,54-/m0/s1

InChIKey

InChIKey=LSYBRGMTRKJATA-IVEWBXRVSA-N

SMILES

C([C@@H](NC(OC)=O)[C@H](C)C)(=O)N1[C@@H](C[C@]2([C@@]1(CCCC2)[H])[H])C=3NC=4C(N3)=CC=C(C4)C=5C=6CCC=7C=C(C(CCC(C5)=CC6)=CC7)C=8C=C9C(=CC8)N=C(N9)[C@H]%10N(C([C@@H](NC(OC)=O)[C@H](C)C)=O)[C@@]%11([C@](C%10)(CCCC%11)[H])[H]

Canonical SMILES

O=C(OC)NC(C(=O)N1C(C2=NC=3C=CC(=CC3N2)C=4C=C5C=CC4CCC=6C=CC(=C(C6)C=7C=CC=8N=C(NC8C7)C9N(C(=O)C(NC(=O)OC)C(C)C)C%10CCCCC%10C9)CC5)CC%11CCCCC1%11)C(C)C

Other Names for this Substance

  • Carbamic acid, N,N′-[tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene-5,11-diylbis[1H-benzimidazole-6,2-diyl[(2S,3aS,7aS)-octahydro-1H-indole-2,1-diyl][(1S)-1-(1-methylethyl)-2-oxo-2,1-ethanediyl]]]bis-, C,C′-dimethyl ester
  • C,C′-Dimethyl N,N′-[tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene-5,11-diylbis[1H-benzimidazole-6,2-diyl[(2S,3aS,7aS)-octahydro-1H-indole-2,1-diyl][(1S)-1-(1-methylethyl)-2-oxo-2,1-ethanediyl]]]bis[carbamate]
  • Odalasvir
  • ACH 0143102
  • ACH 3102

Deleted or Replaced CAS Registry Numbers

1458063-52-9

CAS INSIGHTSTM
Targeted protein degrader structure, illustration