1,1-Dimethylethyl (2S,4R)-4-[(7-chloro-4-methoxy-1-isoquinolinyl)oxy]-2-[[[(1R,2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethenylcyclopropyl]amino]carbonyl]-1-pyrrolidinecarboxylate

CAS Registry Number®

1028252-17-6

CAS Name

1,1-Dimethylethyl (2S,4R)-4-[(7-chloro-4-methoxy-1-isoquinolinyl)oxy]-2-[[[(1R,2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethenylcyclopropyl]amino]carbonyl]-1-pyrrolidinecarboxylate

Molecular Formula

C29H35ClN4O8S

Molecular Mass

635.13

Cite this Page

1,1-Dimethylethyl (2S,4R)-4-[(7-chloro-4-methoxy-1-isoquinolinyl)oxy]-2-[[[(1R,2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethenylcyclopropyl]amino]carbonyl]-1-pyrrolidinecarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1028252-17-6 (retrieved 2024-11-26) (CAS RN: 1028252-17-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H35ClN4O8S/c1-6-16-13-29(16,26(36)33-43(38,39)19-8-9-19)32-24(35)22-12-18(15-34(22)27(37)42-28(2,3)4)41-25-21-11-17(30)7-10-20(21)23(40-5)14-31-25/h6-7,10-11,14,16,18-19,22H,1,8-9,12-13,15H2,2-5H3,(H,32,35)(H,33,36)/t16-,18-,22+,29-/m1/s1

InChIKey

InChIKey=OCUGYIIYUQNTSC-CCGHDIGVSA-N

SMILES

N(C(=O)[C@H]1N(C(OC(C)(C)C)=O)C[C@H](OC=2C3=C(C(OC)=CN2)C=CC(Cl)=C3)C1)[C@@]4(C(NS(=O)(=O)C5CC5)=O)[C@H](C=C)C4

Canonical SMILES

O=C(OC(C)(C)C)N1CC(OC2=NC=C(OC)C=3C=CC(Cl)=CC23)CC1C(=O)NC4(C(=O)NS(=O)(=O)C5CC5)CC4C=C

Other Names for this Substance

  • 1-Pyrrolidinecarboxylic acid, 4-[(7-chloro-4-methoxy-1-isoquinolinyl)oxy]-2-[[[(1R,2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethenylcyclopropyl]amino]carbonyl]-, 1,1-dimethylethyl ester, (2S,4R)-
  • 1,1-Dimethylethyl (2S,4R)-4-[(7-chloro-4-methoxy-1-isoquinolinyl)oxy]-2-[[[(1R,2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethenylcyclopropyl]amino]carbonyl]-1-pyrrolidinecarboxylate

CAS INSIGHTSTM
Hourglass and a clock