44I

6-chloro-N-{(3S)-1-[(2S)-1-{(1R,5S)-7-[2-(methylamino)ethyl]-3,7-diazabicyclo[3.3.1]non-3-yl}-1-oxopropan-2-yl]-2-oxopy rrolidin-3-yl}naphthalene-2-sulfonamide


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Chemical Component Summary

Name6-chloro-N-{(3S)-1-[(2S)-1-{(1R,5S)-7-[2-(methylamino)ethyl]-3,7-diazabicyclo[3.3.1]non-3-yl}-1-oxopropan-2-yl]-2-oxopy rrolidin-3-yl}naphthalene-2-sulfonamide
SynonymsGTC000441
Identifiers6-chloranyl-N-[(3S)-1-[(2S)-1-[(1S,5R)-7-[2-(methylamino)ethyl]-3,7-diazabicyclo[3.3.1]nonan-3-yl]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyrrolidin-3-yl]naphthalene-2-sulfonamide
FormulaC27 H36 Cl N5 O4 S
Molecular Weight562.124
TypeNON-POLYMER
Isomeric SMILESC[C@@H](C(=O)N1C[C@@H]2C[C@H](C1)CN(C2)CCNC)N3CC[C@@H](C3=O)NS(=O)(=O)c4ccc5cc(ccc5c4)Cl
InChIInChI=1S/C27H36ClN5O4S/c1-18(26(34)32-16-19-11-20(17-32)15-31(14-19)10-8-29-2)33-9-7-25(27(33)35)30-38(36,37)24-6-4-21-12-23(28)5-3-22(21)13-24/h3-6,12-13,18-20,25,29-30H,7-11,14-17H2,1-2H3/t18-,19-,20+,25-/m0/s1
InChIKeyNSTQUPKYMBYQSS-KSYXXAMZSA-N

Chemical Details

Formal Charge0
Atom Count74
Chiral Atom Count4
Bond Count78
Aromatic Bond Count11

Related Resource References

Resource NameReference
PubChem 69329219