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

Systemtic Name: 1-[2-(ethanoylsulfanylmethyl)-5-[(4-methoxyphenyl)methoxycarbonylamino]pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(acetylsulfanylmethyl)-5-[(4-methoxyphenyl)methoxycarbonylamino]pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(acetylthio)methyl]-5-[[(4-methoxyphenyl)methoxy-oxomethyl]amino]-1-oxopentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(acetylsulfanylmethyl)-5-[(4-methoxyphenyl)methoxycarbonylamino]pentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(acetylthio)methyl]-5-(p-anisyloxycarbonylamino)pentanoyl]proline Formula: C22H30N2O7S MolecularWeight: 466.5478

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CCCNC(=O)OCC1=CC=C(C=C1)OC)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CC(=O)SCC(CCCNC(=O)OCC1=CC=C(C=C1)OC)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C22H30N2O7S/c1-15(25)32-14-17(20(26)24-12-4-6-19(24)21(27)28)5-3-11-23-22(29)31-13-16-7-9-18(30-2)10-8-16/h7-10,17,19H,3-6,11-14H2,1-2H3,(H,23,29)(H,27,28)