(4-methoxyphenyl)methyl (2S,4S)-2-[(pyridin-3-ylcarbonylamino)methyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl (2S,4S)-2-[(pyridin-3-ylcarbonylamino)methyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-methoxyphenyl)methyl (2S,4S)-2-[(pyridine-3-carbonylamino)methyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-4-mercapto-2-[[[oxo(3-pyridinyl)methyl]amino]methyl]-1-pyrrolidinecarboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl (2S,4S)-2-[(pyridine-3-carbonylamino)methyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-4-mercapto-2-(nicotinamidomethyl)pyrrolidine-1-carboxylic acid p-anisyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)N2CC(CC2CNC(=O)C3=CN=CC=C3)S

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)N2C[C@H](C[C@H]2CNC(=O)C3=CN=CC=C3)S

InChI

InChI=1S/C20H23N3O4S/c1-26-17-6-4-14(5-7-17)13-27-20(25)23-12-18(28)9-16(23)11-22-19(24)15-3-2-8-21-10-15/h2-8,10,16,18,28H,9,11-13H2,1H3,(H,22,24)/t16-,18-/m0/s1