957135-12-5
(5S,8S,10AR)-METHYL 5-(TERT-BUTOXYCARBONYLAMINO)-6-OXODECAHYDROPYRROLO[1,2-A][1,5]DIAZOCINE-8-CARBOXYLATE
Name(5S,8S,10AR)-METHYL 5-(TERT-BUTOXYCARBONYLAMINO)-6-OXODECAHYDROPYRROLO[1,2-A][1,5]DIAZOCINE-8-CARBOXYLATE
1Identification
【Name】
(5S,8S,10AR)-METHYL 5-(TERT-BUTOXYCARBONYLAMINO)-6-OXODECAHYDROPYRROLO[1,2-A][1,5]DIAZOCINE-8-CARBOXYLATE
【CAS】
【MDL】
MFCD16877488
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C16 H27 N3 O5
【pro_molWeight】
341.405
【Inchi】
InChI=1S/C16H27N3O5/c1-16(2,3)24-15(22)18-11-9-17-8-7-10-5-6-12(14(21)23-4)19(10)13(11)20/h10-12,17H,5-9H2,1-4H3,(H,18,22)/t10-,11+,12+/m1/s1
【InChIKey】
InChIKey=UKRIZEJDRITPFH-WOPDTQHZSA-N
【SMILES】
CC(C)(C)OC(=O)N[C@H]1CNCC[C@H]2CC[C@H](N2C1=O)C(=O)OC
【MOL File】
(5S,8S,10AR)-METHYL ….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:8
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
(5S,8S,10AR)-METHYL 5-(TERT-BUTOXYCARBONYLAMINO)-6-OXODECAHYDROPYRROLO[1,2-A][1,5]DIAZOCINE-8-CARBOXYLATE.cml