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

Systemtic Name: methyl (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-[[(2S)-4-methyl-2-phenylmethoxy-pentanoyl]amino]pyrrolidine-2-carboxylate Openeye Name: methyl (2R,4S)-4-[[(2S)-2-benzyloxy-4-methyl-pentanoyl]amino]-1-(4-butoxyphenyl)sulfonyl-pyrrolidine-2-carboxylate CAS Name: (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-[[(2S)-4-methyl-1-oxo-2-phenylmethoxypentyl]amino]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-[[(2S)-4-methyl-2-phenylmethoxypentanoyl]amino]pyrrolidine-2-carboxylate Traditional Name: (2R,4S)-4-[[(2S)-2-benzoxy-4-methyl-pentanoyl]amino]-1-(4-butoxyphenyl)sulfonyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C29H40N2O7S MolecularWeight: 560.7021

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(CC(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](CC(C)C)OCC3=CC=CC=C3

InChI

InChI=1S/C29H40N2O7S/c1-5-6-16-37-24-12-14-25(15-13-24)39(34,35)31-19-23(18-26(31)29(33)36-4)30-28(32)27(17-21(2)3)38-20-22-10-8-7-9-11-22/h7-15,21,23,26-27H,5-6,16-20H2,1-4H3,(H,30,32)/t23-,26+,27-/m0/s1