(2R,3R)-2-[[4-(3,4-dipropoxyphenyl)-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoate

Systemtic Name: (2R,3R)-2-[[4-(3,4-dipropoxyphenyl)-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoate Openeye Name: (2R,3R)-2-[[4-(3,4-dipropoxyphenyl)-4-oxo-butanoyl]amino]-3-methyl-pentanoate CAS Name: (2R,3R)-2-[[4-(3,4-dipropoxyphenyl)-1,4-dioxobutyl]amino]-3-methylpentanoate IUPAC Name: (2R,3R)-2-[[4-(3,4-dipropoxyphenyl)-4-oxobutanoyl]amino]-3-methylpentanoate Traditional Name: (2R,3R)-2-[[4-(3,4-dipropoxyphenyl)-4-keto-butanoyl]amino]-3-methyl-valerate Formula: C22H32NO6- MolecularWeight: 406.49258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)CCC(=O)NC(C(C)CC)C(=O)[O-])OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)CCC(=O)N[C@H]([C@H](C)CC)C(=O)[O-])OCCC

InChI

InChI=1S/C22H33NO6/c1-5-12-28-18-10-8-16(14-19(18)29-13-6-2)17(24)9-11-20(25)23-21(22(26)27)15(4)7-3/h8,10,14-15,21H,5-7,9,11-13H2,1-4H3,(H,23,25)(H,26,27)/p-1/t15-,21-/m1/s1