InChI=1S/C46H65N11O10S/c1-25(2)39(46(67)55-36(40(49)61)21-27-23-51-32-13-7-5-11-29(27)32)57-45(66)37(24-58)56-44(65)35(17-19-68-3)54-43(64)34(15-16-38(59)60)53-42(63)33(14-8-9-18-47)52-41(62)30(48)20-26-22-50-31-12-6-4-10-28(26)31/h4-7,10-13,22-23,25,30,33-37,39,50-51,58H,8-9,14-21,24,47-48H2,1-3H3,(H2,49,61)(H,52,62)(H,53,63)(H,54,64)(H,55,67)(H,56,65)(H,57,66)(H,59,60)/t30-,33-,34-,35-,36-,37-,39-/m0/s1

【InChIKey】

InChIKey=XYTUMOGSEFDYJQ-GURSNEKKSA-N

【SMILES】

CC(C)[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)N

【MOL File】

WWAMIDE-1.mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:13

H bond acceptor:21

XLogP3:0.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

WWAMIDE-1.cml

Quick Release

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149665-72-5 WWAMIDE-1

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】