InChI=1S/C35H55N11O9/c1-19(2)28(34(55)41-22(29(37)50)13-14-27(36)49)45-32(53)25(18-47)44-30(51)23(11-7-15-40-35(38)39)42-31(52)24(17-21-9-5-4-6-10-21)43-33(54)26-12-8-16-46(26)20(3)48/h4-6,9-10,19,22-26,28,47H,7-8,11-18H2,1-3H3,(H2,36,49)(H2,37,50)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H4,38,39,40)/t22-,23-,24-,25-,26-,28-/m0/s1

【InChIKey】

InChIKey=OOZYLOMMGMLDHT-BIVGDOEESA-N

【SMILES】

CC(C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]2CCCN2C(=O)C

【MOL File】

KALLIKREIN INHIBITOR.mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:11

H bond acceptor:20

XLogP3:-8.0

Bulk/Fine:FB

3Material Safety Data Sheet(MSDS)

4CML File

KALLIKREIN INHIBITOR.cml

Quick Release

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97145-43-2 KALLIKREIN INHIBITOR

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】