InChI=1S/C42H56N12O9S/c1-64-17-15-28(43)36(57)50-31(13-14-35(55)56)38(59)53-33(20-26-22-46-23-49-26)40(61)52-32(18-24-8-3-2-4-9-24)39(60)51-30(12-7-16-47-42(44)45)37(58)54-34(41(62)63)19-25-21-48-29-11-6-5-10-27(25)29/h2-6,8-11,21-23,28,30-34,48H,7,12-20,43H2,1H3,(H,46,49)(H,50,57)(H,51,60)(H,52,61)(H,53,59)(H,54,58)(H,55,56)(H,62,63)(H4,44,45,47)/t28-,30-,31-,32-,33-,34-/m0/s1

【InChIKey】

InChIKey=CLUQWSRYSHBBDD-TZEHAJJTSA-N

【SMILES】

CSCC[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](CCCNC(=N)N)C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)O)N

【MOL File】

ACTH (4-9).mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:13

H bond acceptor:21

XLogP3:-5.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

ACTH (4-9).cml

Quick Release

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56236-83-0 ACTH (4-9)

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】