Sampatrilat

CAS Registry Number®

129981-36-8

CAS Name

Sampatrilat

Molecular Formula

C26H40N4O9S

Molecular Mass

584.68

Cite this Page

Sampatrilat.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=129981-36-8 (retrieved 2024-11-24) (CAS RN: 129981-36-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    250 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C26H40N4O9S/c1-40(38,39)30-20(6-2-5-13-27)22(32)28-16-18(23(33)34)15-26(11-3-4-12-26)25(37)29-21(24(35)36)14-17-7-9-19(31)10-8-17/h7-10,18,20-21,30-31H,2-6,11-16,27H2,1H3,(H,28,32)(H,29,37)(H,33,34)(H,35,36)/t18-,20-,21-/m0/s1

InChIKey

InChIKey=LPUDGHQMOAHMMF-JBACZVJFSA-N

SMILES

C([C@@H](CNC([C@H](CCCCN)NS(C)(=O)=O)=O)C(O)=O)C1(C(N[C@@H](CC2=CC=C(O)C=C2)C(O)=O)=O)CCCC1

Canonical SMILES

O=C(O)C(NC(=O)C1(CCCC1)CC(C(=O)O)CNC(=O)C(NS(=O)(=O)C)CCCCN)CC2=CC=C(O)C=C2

Other Names for this Substance

  • L-Tyrosine, N2-(methylsulfonyl)-L-lysyl-1-[(2S)-3-amino-2-carboxypropyl]cyclopentanecarbonyl-
  • β-Alanine, 2-[[1-[[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]carbonyl]cyclopentyl]methyl]-N-[N2-(methylsulfonyl)-L-lysyl]-, [S-(R*,R*)]-
  • N2-(Methylsulfonyl)-L-lysyl-1-[(2S)-3-amino-2-carboxypropyl]cyclopentanecarbonyl-L-tyrosine
  • Sampatrilat
  • UK 81252