InChI=1S/C50H73N17O11S/c1-25(2)13-34(46(74)63-33(43(53)71)11-12-79-6)64-47(75)36(15-29-20-54-23-58-29)62-41(70)22-57-50(78)42(26(3)4)67-44(72)27(5)60-45(73)35(14-28-19-56-32-10-8-7-9-31(28)32)65-48(76)37(16-30-21-55-24-59-30)66-49(77)38(17-39(52)68)61-40(69)18-51/h7-10,19-21,23-27,33-38,42,56H,11-18,22,51H2,1-6H3,(H2,52,68)(H2,53,71)(H,54,58)(H,55,59)(H,57,78)(H,60,73)(H,61,69)(H,62,70)(H,63,74)(H,64,75)(H,65,76)(H,66,77)(H,67,72)/t27-,33-,34-,35-,36-,37-,38-,42-/m0/s1

【InChIKey】

InChIKey=RWBLWXCGQLZKLK-USVTTYPOSA-N

【SMILES】

CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)[C@H](Cc4c[nH]cn4)NC(=O)[C@H](CC(=O)N)NC(=O)CN

【MOL File】

NEUROMEDIN C.mol

2ChemicalProperties

【ComputedProperties】

pro_donors:15

pro_acceptors:28

XLogP3:-4.0

Bulk/Fine:F

3MaterialMSDS

4CMLFile

NEUROMEDIN C.cml

quick_release

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81608-30-2 NEUROMEDIN C

1Identification

【Name】

【CAS】

【MDL】

【中文同义词】

【EnglishSynonyms】

【pro_formula】

【pro_molWeight】

【Inchi】