(phenylmethyl) (2S,4R)-1-[(2S)-9-methylidene-10-oxidanylidene-azecan-2-yl]carbonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S,4R)-1-[(2S)-9-methylidene-10-oxidanylidene-azecan-2-yl]carbonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: benzyl (2S,4R)-4-hydroxy-1-[(2S)-9-methylene-10-oxo-azecane-2-carbonyl]pyrrolidine-2-carboxylate CAS Name: (2S,4R)-4-hydroxy-1-[[(2S)-9-methylene-10-oxo-2-azecanyl]-oxomethyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,4R)-4-hydroxy-1-[(2S)-9-methylidene-10-oxoazecane-2-carbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S,4R)-4-hydroxy-1-[(2S)-10-keto-9-methylene-azecane-2-carbonyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C23H30N2O5 MolecularWeight: 414.4947

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Descriptors Computed from Structure

Canonical SMILES:

C=C1CCCCCCC(NC1=O)C(=O)N2CC(CC2C(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

C=C1CCCCCC[C@H](NC1=O)C(=O)N2C[C@@H](C[C@H]2C(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C23H30N2O5/c1-16-9-5-2-3-8-12-19(24-21(16)27)22(28)25-14-18(26)13-20(25)23(29)30-15-17-10-6-4-7-11-17/h4,6-7,10-11,18-20,26H,1-3,5,8-9,12-15H2,(H,24,27)/t18-,19+,20+/m1/s1