1AH

3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE


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Chemical Component Summary

Name3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE
Identifiersmethyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[(2S)-2-hydroxy-3-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-3-oxo-2-(phenylmethyl)propyl]hydrazinyl]-3,3-dimethyl-1-oxo-butan-2-yl]carbamate
FormulaC34 H41 Br N4 O6
Molecular Weight681.617
TypeNON-POLYMER
Isomeric SMILESCC(C)(C)[C@@H](C(=O)N[N@](Cc1ccc(cc1)Br)C[C@@](Cc2ccccc2)(C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)NC(=O)OC
InChIInChI=1S/C34H41BrN4O6/c1-33(2,3)29(37-32(43)45-4)30(41)38-39(20-23-14-16-25(35)17-15-23)21-34(44,19-22-10-6-5-7-11-22)31(42)36-28-26-13-9-8-12-24(26)18-27(28)40/h5-17,27-29,40,44H,18-21H2,1-4H3,(H,36,42)(H,37,43)(H,38,41)/t27-,28+,29-,34+/m1/s1
InChIKeyJTIFBCHFPVQSEH-UNMGZEBXSA-N

Chemical Details

Formal Charge0
Atom Count86
Chiral Atom Count4
Bond Count89
Aromatic Bond Count18

Related Resource References

Resource NameReference
PubChem 11513133
ChEMBL CHEMBL197500