methyl (2S)-3-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]-2-thiophen-3-yl-propanoate

Systemtic Name: methyl (2S)-3-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]-2-thiophen-3-yl-propanoate Openeye Name: methyl (2S)-3-[benzyl(tert-butoxycarbonyl)amino]-2-(3-thienyl)propanoate CAS Name: (2S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(phenylmethyl)amino]-2-(3-thiophenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-thiophen-3-ylpropanoate Traditional Name: (2S)-3-[benzyl(tert-butoxycarbonyl)amino]-2-(3-thienyl)propionic acid methyl ester Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC1=CC=CC=C1)CC(C2=CSC=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N(CC1=CC=CC=C1)C[C@H](C2=CSC=C2)C(=O)OC

InChI

InChI=1S/C20H25NO4S/c1-20(2,3)25-19(23)21(12-15-8-6-5-7-9-15)13-17(18(22)24-4)16-10-11-26-14-16/h5-11,14,17H,12-13H2,1-4H3/t17-/m1/s1