3-[(10-benzyl-9-oxo-7-thia-10-azabicyclo[4.4.0]deca-2,4,11-triene-3-carbonyl)amino]propyl-bis(2-methylpropyl)azanium

Molecular Formula: C27H38N3O2S+


InChI: InChI=1/C27H37N3O2S/c1-20(2)16-29(17-21(3)4)14-8-13-28-27(32)23-11-12-25-24(15-23)30(26(31)19-33-25)18-22-9-6-5-7-10-22/h5-7,9-12,15,20-21H,8,13-14,16-19H2,1-4H3,(H,28,32)/p+1/fC27H38N3O2S/h28-29H/q+1

InChIKey: InChIKey=VVJZGGZFAVMXED-RENKWUSOCU
SMILES: CC(C)C[NH+](CCCNC(=O)C1=CC2=C(C=C1)SCC(=O)N2CC3=CC=CC=C3)CC(C)C

Names:
    3-[(10-benzyl-9-oxo-7-thia-10-azabicyclo[4.4.0]deca-2,4,11-triene-3-carbonyl)amino]propyl-bis(2-methylpropyl)azanium

Registries:
    PubChem CID 4086764
    PubChem ID 6004460