methyl 3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl 3-[[2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]-3-phenyl-propanoate CAS Name: 3-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]-3-phenylpropanoate Traditional Name: 3-[[2-(tert-butoxycarbonylamino)-4-(methylthio)butanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCSC)C(=O)NC(CC(=O)OC)C1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCSC)C(=O)NC(CC(=O)OC)C1=CC=CC=C1

InChI

InChI=1S/C20H30N2O5S/c1-20(2,3)27-19(25)22-15(11-12-28-5)18(24)21-16(13-17(23)26-4)14-9-7-6-8-10-14/h6-10,15-16H,11-13H2,1-5H3,(H,21,24)(H,22,25)