InChI=1S/C21H21N3O4/c22-12-11-19(25)23-17(13-15-7-3-1-4-8-15)20(26)24-18(21(27)28)14-16-9-5-2-6-10-16/h1-10,17-18H,11,13-14H2,(H,23,25)(H,24,26)(H,27,28)/t17-,18-/m0/s1

【InChIKey】

InChIKey=FPAPTZAOPMWDRV-ROUUACIJSA-N

【SMILES】

c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)O)NC(=O)CC#N

【MOL File】

CYANOAC-PHE-PHE-OH.mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:3

H bond acceptor:7

XLogP3:2.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

CYANOAC-PHE-PHE-OH.cml

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144085-32-5 CYANOAC-PHE-PHE-OH

1Identification

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【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】