1-[5-[(4-methoxyphenyl)methoxycarbonylamino]-2-(sulfanylmethyl)pentanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[5-[(4-methoxyphenyl)methoxycarbonylamino]-2-(sulfanylmethyl)pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[5-[(4-methoxyphenyl)methoxycarbonylamino]-2-(sulfanylmethyl)pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(mercaptomethyl)-5-[[(4-methoxyphenyl)methoxy-oxomethyl]amino]-1-oxopentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[5-[(4-methoxyphenyl)methoxycarbonylamino]-2-(sulfanylmethyl)pentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(mercaptomethyl)-5-(p-anisyloxycarbonylamino)pentanoyl]proline Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)NCCCC(CS)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)NCCCC(CS)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C20H28N2O6S/c1-27-16-8-6-14(7-9-16)12-28-20(26)21-10-2-4-15(13-29)18(23)22-11-3-5-17(22)19(24)25/h6-9,15,17,29H,2-5,10-13H2,1H3,(H,21,26)(H,24,25)