InChI=1S/C21H27N5O6/c1-12(2)18(20(29)22-13-5-7-14(8-6-13)26(31)32)24-19(28)16-4-3-11-25(16)21(30)15-9-10-17(27)23-15/h5-8,12,15-16,18H,3-4,9-11H2,1-2H3,(H,22,29)(H,23,27)(H,24,28)/t15-,16-,18-/m0/s1

【InChIKey】

InChIKey=HDYIMWXQGNDTQL-BQFCYCMXSA-N

【SMILES】

CC(C)[C@@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])NC(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCC(=O)N3

【MOL File】

PGLU-PRO-VAL-PARANIT….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:3

H bond acceptor:11

XLogP3:0.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

PGLU-PRO-VAL-PARANITROANILIDE.cml

Quick Release

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83329-36-6 PGLU-PRO-VAL-PARANITROANILIDE

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】