tert-butyl (2S)-5-(methylcarbamothioylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

Systemtic Name: tert-butyl (2S)-5-(methylcarbamothioylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Openeye Name: tert-butyl (2S)-2-(tert-butoxycarbonylamino)-5-(methylcarbamothioylamino)pentanoate CAS Name: (2S)-5-[[methylamino(sulfanylidene)methyl]amino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-5-(methylcarbamothioylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-5-(methylthiocarbamoylamino)valeric acid tert-butyl ester Formula: C16H31N3O4S MolecularWeight: 361.50004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCCNC(=S)NC)NC(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H31N3O4S/c1-15(2,3)22-12(20)11(9-8-10-18-13(24)17-7)19-14(21)23-16(4,5)6/h11H,8-10H2,1-7H3,(H,19,21)(H2,17,18,24)/t11-/m0/s1