InChI=1S/C40H55N9O10S/c1-60(59)19-17-28(42)35(52)45-30(15-16-34(50)51)37(54)48-32(22-27-23-43-24-44-27)39(56)47-31(20-25-10-4-2-5-11-25)38(55)46-29(14-8-9-18-41)36(53)49-33(40(57)58)21-26-12-6-3-7-13-26/h2-7,10-13,23-24,28-33H,8-9,14-22,41-42H2,1H3,(H,43,44)(H,45,52)(H,46,55)(H,47,56)(H,48,54)(H,49,53)(H,50,51)(H,57,58)/t28-,29+,30-,31-,32-,33-,60?/m0/s1

【InChIKey】

InChIKey=WJXHMYHJQXWRHC-PLULSYJPSA-N

【SMILES】

CS(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)N

【MOL File】

(MET(O)4,D-LYS8,PHE9….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:10

H bond acceptor:19

XLogP3:0.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

(MET(O)4,D-LYS8,PHE9)-ACTH (4-9).cml

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50913-93-4 (MET(O)4,D-LYS8,PHE9)-ACTH (4-9)

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】