(2-azanyl-1-thiophen-3-yl-ethyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanyl-propanoate

Systemtic Name: (2-azanyl-1-thiophen-3-yl-ethyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanyl-propanoate Openeye Name: [2-amino-1-(3-thienyl)ethyl] 2-(tert-butoxycarbonylamino)-3-sulfanyl-propanoate CAS Name: 3-mercapto-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid [2-amino-1-(3-thiophenyl)ethyl] ester IUPAC Name: (2-amino-1-thiophen-3-ylethyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanylpropanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-mercapto-propionic acid [2-amino-1-(3-thienyl)ethyl] ester Formula: C14H22N2O4S2 MolecularWeight: 346.46548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CS)C(=O)OC(CN)C1=CSC=C1

Isomeric SMILES

CC(C)(C)OC(=O)NC(CS)C(=O)OC(CN)C1=CSC=C1

InChI

InChI=1S/C14H22N2O4S2/c1-14(2,3)20-13(18)16-10(7-21)12(17)19-11(6-15)9-4-5-22-8-9/h4-5,8,10-11,21H,6-7,15H2,1-3H3,(H,16,18)