CAS Registry Number®
2086689-02-1
Molecular Formula
C19H31N3O8SMolecular Mass
461.53Cite this Page
. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=2086689-02-1 (retrieved ) (CAS RN: 2086689-02-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1/C19H31N3O8S/c23-15(4-2-1-3-14-18-13(11-31-14)21-19(28)22-18)20-12(9-29-7-5-16(24)25)10-30-8-6-17(26)27/h12-14,18H,1-11H2,(H,20,23)(H,24,25)(H,26,27)(H2,21,22,28)/t13-,14-,18-/s2
InChIKey
InChIKey=NRIDXCVOVMVZJD-HEJTYSMXNA-N
SMILES
C(CCCC(NC(COCCC(O)=O)COCCC(O)=O)=O)[C@H]1[C@@]2([C@@](NC(=O)N2)(CS1)[H])[H]
Canonical SMILES
O=C(O)CCOCC(NC(=O)CCCCC1SCC2NC(=O)NC12)COCCC(=O)O
