2-[[3-(acetamidomethylsulfanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[3-(acetamidomethylsulfanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[3-(acetamidomethylsulfanyl)-2-(tert-butoxycarbonylamino)propanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[3-(acetamidomethylthio)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[3-(acetamidomethylsulfanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[3-(acetamidomethylthio)-2-(tert-butoxycarbonylamino)propanoyl]amino]-3-methyl-butyric acid Formula: C16H29N3O6S MolecularWeight: 391.48296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(CSCNC(=O)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C(CSCNC(=O)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C16H29N3O6S/c1-9(2)12(14(22)23)19-13(21)11(7-26-8-17-10(3)20)18-15(24)25-16(4,5)6/h9,11-12H,7-8H2,1-6H3,(H,17,20)(H,18,24)(H,19,21)(H,22,23)