Identification Chemical Properties Spectrum Detail Supplier

957135-12-5

Name (5S,8S,10aR)-Methyl 5-(tert-butoxycarbonylaMino)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxylate
CAS 957135-12-5
Molecular Formula C16H27N3O5
MDL Number MFCD16877488
Molecular Weight 341.4
MOL File 957135-12-5.mol
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Chemical Properties

Boiling point  501.5±50.0 °C(Predicted)
density  1.21±0.1 g/cm3(Predicted)
pka 11.42±0.40(Predicted)
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 UKRIZEJDRITPFH-WOPDTQHZSA-N
SMILES N12[C@H](C(OC)=O)CC[C@]1([H])CCNC[C@H](NC(OC(C)(C)C)=O)C2=O

Spectrum Detail

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