1-[2-[butoxycarbonyl-(2-butoxy-2-oxidanylidene-ethyl)amino]-3-cyclooctyl-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[butoxycarbonyl-(2-butoxy-2-oxidanylidene-ethyl)amino]-3-cyclooctyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[butoxycarbonyl-(2-butoxy-2-oxo-ethyl)amino]-3-cyclooctyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(2-butoxy-2-oxoethyl)-[butoxy(oxo)methyl]amino]-3-cyclooctyl-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[butoxycarbonyl-(2-butoxy-2-oxoethyl)amino]-3-cyclooctylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[butoxycarbonyl-(2-butoxy-2-keto-ethyl)amino]-3-cyclooctyl-propanoyl]proline Formula: C27H46N2O7 MolecularWeight: 510.66334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CN(C(CC1CCCCCCC1)C(=O)N2CCCC2C(=O)O)C(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)CN(C(CC1CCCCCCC1)C(=O)N2CCCC2C(=O)O)C(=O)OCCCC

InChI

InChI=1S/C27H46N2O7/c1-3-5-17-35-24(30)20-29(27(34)36-18-6-4-2)23(19-21-13-10-8-7-9-11-14-21)25(31)28-16-12-15-22(28)26(32)33/h21-23H,3-20H2,1-2H3,(H,32,33)