tert-butyl 3-[4-methyl-5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: tert-butyl 3-[4-methyl-5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: tert-butyl 2-(benzyloxycarbonylamino)-3-hydroxy-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-2-thienyl]propanoate CAS Name: 3-hydroxy-3-[4-methyl-5-(1-pyrrolidinylmethyl)-2-thiophenyl]-2-(phenylmethoxycarbonylamino)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-hydroxy-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-hydroxy-3-[4-methyl-5-(pyrrolidinomethyl)-2-thienyl]propionic acid tert-butyl ester Formula: C25H34N2O5S MolecularWeight: 474.61286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)C(C(C(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2)O)CN3CCCC3

Isomeric SMILES

CC1=C(SC(=C1)C(C(C(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2)O)CN3CCCC3

InChI

InChI=1S/C25H34N2O5S/c1-17-14-19(33-20(17)15-27-12-8-9-13-27)22(28)21(23(29)32-25(2,3)4)26-24(30)31-16-18-10-6-5-7-11-18/h5-7,10-11,14,21-22,28H,8-9,12-13,15-16H2,1-4H3,(H,26,30)