ethyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]-3-methylsulfanyl-propanoate

Systemtic Name: ethyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]-3-methylsulfanyl-propanoate Openeye Name: ethyl 2-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-methylsulfanyl-propanoate CAS Name: 2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-(methylthio)propanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-methylsulfanylpropanoate Traditional Name: 2-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-(methylthio)propionic acid ethyl ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC)NC(=O)C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C(CSC)NC(=O)C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H30N2O5S/c1-6-26-18(24)16(13-28-5)21-17(23)15(12-14-10-8-7-9-11-14)22-19(25)27-20(2,3)4/h7-11,15-16H,6,12-13H2,1-5H3,(H,21,23)(H,22,25)