tert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(pyrazol-1-ylcarbothioylamino)pentanoate

Systemtic Name: tert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(pyrazol-1-ylcarbothioylamino)pentanoate Openeye Name: tert-butyl (2S)-2-(tert-butoxycarbonylamino)-5-(pyrazole-1-carbothioylamino)pentanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-[[1-pyrazolyl(sulfanylidene)methyl]amino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(pyrazole-1-carbothioylamino)pentanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-5-(pyrazole-1-carbothioylamino)valeric acid tert-butyl ester Formula: C18H30N4O4S MolecularWeight: 398.5202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCCNC(=S)N1C=CC=N1)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CCCNC(=S)N1C=CC=N1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C18H30N4O4S/c1-17(2,3)25-14(23)13(21-16(24)26-18(4,5)6)9-7-10-19-15(27)22-12-8-11-20-22/h8,11-13H,7,9-10H2,1-6H3,(H,19,27)(H,21,24)/t13-/m0/s1