dimethyl-[3-[[2-[2-[2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]carbonylamino]propyl]sulfanium

Systemtic Name: dimethyl-[3-[[2-[2-[2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]carbonylamino]propyl]sulfanium Openeye Name: 3-[[2-[2-[2-[[(2R)-2-(tert-butoxycarbonylamino)propanoyl]amino]ethyl]thiazol-4-yl]thiazole-4-carbonyl]amino]propyl-dimethyl-sulfonium CAS Name: dimethyl-[3-[[[2-[2-[2-[[(2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]ethyl]-4-thiazolyl]-4-thiazolyl]-oxomethyl]amino]propyl]sulfonium IUPAC Name: dimethyl-[3-[[2-[2-[2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl]sulfanium Traditional Name: 3-[[2-[2-[2-[[(2R)-2-(tert-butoxycarbonylamino)propanoyl]amino]ethyl]thiazol-4-yl]thiazole-4-carbonyl]amino]propyl-dimethyl-sulfonium Formula: C22H34N5O4S3+ MolecularWeight: 528.73146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=NC(=CS1)C2=NC(=CS2)C(=O)NCCC[S+](C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@H](C(=O)NCCC1=NC(=CS1)C2=NC(=CS2)C(=O)NCCC[S+](C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H33N5O4S3/c1-14(25-21(30)31-22(2,3)4)18(28)24-10-8-17-26-16(13-32-17)20-27-15(12-33-20)19(29)23-9-7-11-34(5)6/h12-14H,7-11H2,1-6H3,(H2-,23,24,25,28,29,30)/p+1/t14-/m1/s1