InChI=1S/C38H63N7O8/c1-7-23(5)31(36(50)42-29(38(52)53)20-22(3)4)43-34(48)28(21-25-14-16-26(46)17-15-25)41-35(49)30-13-11-19-45(30)37(51)32(24(6)8-2)44-33(47)27(40)12-9-10-18-39/h14-17,22-24,27-32,46H,7-13,18-21,39-40H2,1-6H3,(H,41,49)(H,42,50)(H,43,48)(H,44,47)(H,52,53)/t23-,24-,27-,28-,29-,30-,31-,32-/m0/s1

【InChIKey】

InChIKey=RZMLVIHXZGQADB-YLUGYNJDSA-N

【SMILES】

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)N

【MOL File】

NEUROMEDIN N.mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:8

H bond acceptor:15

XLogP3:2.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

NEUROMEDIN N.cml

Quick Release

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92169-45-4 NEUROMEDIN N

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】