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

Systemtic Name: ethyl (2S)-3-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamothioylamino]butanoate Openeye Name: ethyl (2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)propyl]carbamothioylamino]-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[[[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]amino]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl (2S)-3-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamothioylamino]butanoate Traditional Name: (2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)propyl]thiocarbamoylamino]-3-methyl-butyric acid ethyl ester Formula: C16H31N3O4S MolecularWeight: 361.50004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C)NC(=S)NCC(C)NC(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H31N3O4S/c1-8-22-13(20)12(10(2)3)19-14(24)17-9-11(4)18-15(21)23-16(5,6)7/h10-12H,8-9H2,1-7H3,(H,18,21)(H2,17,19,24)/t11-,12-/m0/s1