Hexanoic acid, 6-[[1-[[[(acetylamino)methyl]thio]methyl]-2-[(2-methyl-1-sulfopropyl)amino]-2-oxoethyl]amino]-2-[[(1,1-dimethylethoxy)carbonyl]amino]-6-oxo-, 1-[(4-nitrophenyl)methyl] ester

CAS Registry Number®

141044-51-1

CAS Name

Hexanoic acid, 6-[[1-[[[(acetylamino)methyl]thio]methyl]-2-[(2-methyl-1-sulfopropyl)amino]-2-oxoethyl]amino]-2-[[(1,1-dimethylethoxy)carbonyl]amino]-6-oxo-, 1-[(4-nitrophenyl)methyl] ester

Molecular Formula

C28H43N5O12S2

Molecular Mass

705.80

Cite this Page

Hexanoic acid, 6-[[1-[[[(acetylamino)methyl]thio]methyl]-2-[(2-methyl-1-sulfopropyl)amino]-2-oxoethyl]amino]-2-[[(1,1-dimethylethoxy)carbonyl]amino]-6-oxo-, 1-[(4-nitrophenyl)methyl] ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=141044-51-1 (retrieved 2024-11-22) (CAS RN: 141044-51-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H43N5O12S2/c1-17(2)25(47(41,42)43)32-24(36)22(15-46-16-29-18(3)34)30-23(35)9-7-8-21(31-27(38)45-28(4,5)6)26(37)44-14-19-10-12-20(13-11-19)33(39)40/h10-13,17,21-22,25H,7-9,14-16H2,1-6H3,(H,29,34)(H,30,35)(H,31,38)(H,32,36)(H,41,42,43)

InChIKey

InChIKey=GEJAISUBKBWPTC-UHFFFAOYSA-N

SMILES

C(C(NC(S(=O)(=O)O)C(C)C)=O)(NC(CCCC(C(OCC1=CC=C(N(=O)=O)C=C1)=O)NC(OC(C)(C)C)=O)=O)CSCNC(C)=O

Canonical SMILES

O=C(OC(C)(C)C)NC(C(=O)OCC1=CC=C(C=C1)N(=O)=O)CCCC(=O)NC(C(=O)NC(C(C)C)S(=O)(=O)O)CSCNC(=O)C

Other Names for this Substance

  • Hexanoic acid, 6-[[1-[[[(acetylamino)methyl]thio]methyl]-2-[(2-methyl-1-sulfopropyl)amino]-2-oxoethyl]amino]-2-[[(1,1-dimethylethoxy)carbonyl]amino]-6-oxo-, 1-[(4-nitrophenyl)methyl] ester