methyl 3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamothioylamino]propanoate

Systemtic Name: methyl 3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamothioylamino]propanoate Openeye Name: methyl 3-[[(2S)-2-(tert-butoxycarbonylamino)propyl]carbamothioylamino]propanoate CAS Name: 3-[[[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]amino]-sulfanylidenemethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamothioylamino]propanoate Traditional Name: 3-[[(2S)-2-(tert-butoxycarbonylamino)propyl]thiocarbamoylamino]propionic acid methyl ester Formula: C13H25N3O4S MolecularWeight: 319.4203

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=S)NCCC(=O)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H](CNC(=S)NCCC(=O)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C13H25N3O4S/c1-9(16-12(18)20-13(2,3)4)8-15-11(21)14-7-6-10(17)19-5/h9H,6-8H2,1-5H3,(H,16,18)(H2,14,15,21)/t9-/m0/s1