methyl (2R)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoylamino]-3-sulfanyl-propanoate

Systemtic Name: methyl (2R)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoylamino]-3-sulfanyl-propanoate Openeye Name: methyl (2R)-2-[2-(tert-butoxycarbonylamino)prop-2-enoylamino]-3-sulfanyl-propanoate CAS Name: (2R)-3-mercapto-2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoprop-2-enyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoylamino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[[2-(tert-butoxycarbonylamino)acryloyl]amino]-3-mercapto-propionic acid methyl ester Formula: C12H20N2O5S MolecularWeight: 304.3626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)OC(=O)NC(=C)C(=O)N[C@@H](CS)C(=O)OC

InChI

InChI=1S/C12H20N2O5S/c1-7(13-11(17)19-12(2,3)4)9(15)14-8(6-20)10(16)18-5/h8,20H,1,6H2,2-5H3,(H,13,17)(H,14,15)/t8-/m0/s1