methyl (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-[[(2S)-2-phenylmethoxypropanoyl]amino]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-[[(2S)-2-phenylmethoxypropanoyl]amino]pyrrolidine-2-carboxylate Openeye Name: methyl (2R,4S)-4-[[(2S)-2-benzyloxypropanoyl]amino]-1-(4-butoxyphenyl)sulfonyl-pyrrolidine-2-carboxylate CAS Name: (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-[[(2S)-1-oxo-2-phenylmethoxypropyl]amino]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-[[(2S)-2-phenylmethoxypropanoyl]amino]pyrrolidine-2-carboxylate Traditional Name: (2R,4S)-4-[[(2S)-2-benzoxypropanoyl]amino]-1-(4-butoxyphenyl)sulfonyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C26H34N2O7S MolecularWeight: 518.62236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OC)NC(=O)C(C)OCC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](C[C@@H]2C(=O)OC)NC(=O)[C@H](C)OCC3=CC=CC=C3

InChI

InChI=1S/C26H34N2O7S/c1-4-5-15-34-22-11-13-23(14-12-22)36(31,32)28-17-21(16-24(28)26(30)33-3)27-25(29)19(2)35-18-20-9-7-6-8-10-20/h6-14,19,21,24H,4-5,15-18H2,1-3H3,(H,27,29)/t19-,21-,24+/m0/s1