InChI=1S/C22H42N4O8S2/c1-21(2,13-27)17(31)19(33)25-7-5-15(29)23-9-11-35-36-12-10-24-16(30)6-8-26-20(34)18(32)22(3,4)14-28/h17-18,27-28,31-32H,5-14H2,1-4H3,(H,23,29)(H,24,30)(H,25,33)(H,26,34)/t17-,18-/m0/s1

【InChIKey】

InChIKey=DJWYOLJPSHDSAL-ROUUACIJSA-N

【SMILES】

CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O)O

【MOL File】

D-PANTETHINE.mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:8

H bond acceptor:12

XLogP3:-4.0

Bulk/Fine:FB

3Material Safety Data Sheet(MSDS)

Chem-Impex International, Inc. :D-PANTETHINE

4CML File

D-PANTETHINE.cml

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1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】