1-[[3-(butoxycarbonylamino)-2-oxidanylidene-4-phenyl-butyl]-methyl-carbamoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[[3-(butoxycarbonylamino)-2-oxidanylidene-4-phenyl-butyl]-methyl-carbamoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[[3-(butoxycarbonylamino)-2-oxo-4-phenyl-butyl]-methyl-carbamoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[[3-[[butoxy(oxo)methyl]amino]-2-oxo-4-phenylbutyl]-methylamino]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[[3-(butoxycarbonylamino)-2-oxo-4-phenylbutyl]-methylcarbamoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[[3-(butoxycarbonylamino)-2-keto-4-phenyl-butyl]-methyl-carbamoyl]proline Formula: C22H31N3O6 MolecularWeight: 433.49804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC(CC1=CC=CC=C1)C(=O)CN(C)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CCCCOC(=O)NC(CC1=CC=CC=C1)C(=O)CN(C)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C22H31N3O6/c1-3-4-13-31-21(29)23-17(14-16-9-6-5-7-10-16)19(26)15-24(2)22(30)25-12-8-11-18(25)20(27)28/h5-7,9-10,17-18H,3-4,8,11-15H2,1-2H3,(H,23,29)(H,27,28)