InChI=1S/C51H68N14O11S/c1-27(2)43(51(76)56-25-42(68)60-39(22-31-24-54-26-57-31)50(75)63-37(20-29-10-6-5-7-11-29)49(74)61-34(44(53)69)18-19-77-4)65-45(70)28(3)58-48(73)38(21-30-23-55-33-13-9-8-12-32(30)33)64-47(72)36(14-16-40(52)66)62-46(71)35-15-17-41(67)59-35/h5-13,23-24,26-28,34-39,43,55H,14-22,25H2,1-4H3,(H2,52,66)(H2,53,69)(H,54,57)(H,56,76)(H,58,73)(H,59,67)(H,60,68)(H,61,74)(H,62,71)(H,63,75)(H,64,72)(H,65,70)/t28-,34-,35-,36-,37-,38-,39-,43-/m0/s1

【InChIKey】

InChIKey=OHCNRADJYUSTIV-FPNHNIPFSA-N

【SMILES】

CC(C)[C@@H](C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]5CCC(=O)N5

【MOL File】

LITORIN.mol

2ChemicalProperties

【ComputedProperties】

pro_donors:13

pro_acceptors:25

XLogP3:-2.0

Bulk/Fine:F

3MaterialMSDS

4CMLFile

LITORIN.cml

quick_release

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55749-97-8 LITORIN

1Identification

【Name】

【CAS】

【MDL】

【中文同义词】

【EnglishSynonyms】

【pro_formula】

【pro_molWeight】

【Inchi】