NRJ

methyl [(5E,8S)-8-[(6R)-6-(3-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate


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Chemical Component Summary

Namemethyl [(5E,8S)-8-[(6R)-6-(3-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
Identifiersmethyl ~{N}-[(12~{E},15~{S})-15-[(6~{R})-6-(3-chlorophenyl)-2-oxidanylidene-1,3-oxazinan-3-yl]-9-oxidanylidene-8,17,19-triazatricyclo[14.2.1.0^{2,7}]nonadeca-1(18),2,4,6,12,16(19)-hexaen-5-yl]carbamate
FormulaC28 H28 Cl N5 O5
Molecular Weight550.005
TypeNON-POLYMER
Isomeric SMILESCOC(=O)Nc1ccc-2c(c1)NC(=O)CC/C=C/C[C@@H](c3[nH]cc2n3)N4CC[C@@H](OC4=O)c5cccc(c5)Cl
InChIInChI=1S/C28H28ClN5O5/c1-38-27(36)31-19-10-11-20-21(15-19)32-25(35)9-4-2-3-8-23(26-30-16-22(20)33-26)34-13-12-24(39-28(34)37)17-6-5-7-18(29)14-17/h2-3,5-7,10-11,14-16,23-24H,4,8-9,12-13H2,1H3,(H,30,33)(H,31,36)(H,32,35)/b3-2+/t23-,24+/m0/s1
InChIKeyZRELHZVMHRERCT-KXHVVKIWSA-N

Chemical Details

Formal Charge0
Atom Count67
Chiral Atom Count2
Bond Count71
Aromatic Bond Count17

Related Resource References

Resource NameReference
PubChem 71260387