methyl 3-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamothioylamino]propanoate

Systemtic Name: methyl 3-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamothioylamino]propanoate Openeye Name: methyl 3-[[(2S)-2-(tert-butoxycarbonylamino)-4-methyl-pentyl]carbamothioylamino]propanoate CAS Name: 3-[[[[(2S)-4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentyl]amino]-sulfanylidenemethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamothioylamino]propanoate Traditional Name: 3-[[(2S)-2-(tert-butoxycarbonylamino)-4-methyl-pentyl]thiocarbamoylamino]propionic acid methyl ester Formula: C16H31N3O4S MolecularWeight: 361.50004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H31N3O4S/c1-11(2)9-12(19-15(21)23-16(3,4)5)10-18-14(24)17-8-7-13(20)22-6/h11-12H,7-10H2,1-6H3,(H,19,21)(H2,17,18,24)/t12-/m0/s1