(4-azanyl-4-oxidanylidene-butyl) 3-[2-[1-(4-cyclohexylbutylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]phenyl]propanoate

Systemtic Name: (4-azanyl-4-oxidanylidene-butyl) 3-[2-[1-(4-cyclohexylbutylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]phenyl]propanoate Openeye Name: (4-amino-4-oxo-butyl) 3-[2-[2-(4-cyclohexylbutylamino)-1-(hydroxymethyl)-2-oxo-ethyl]phenyl]propanoate CAS Name: 3-[2-[1-(4-cyclohexylbutylamino)-3-hydroxy-1-oxopropan-2-yl]phenyl]propanoic acid (4-amino-4-oxobutyl) ester IUPAC Name: (4-amino-4-oxobutyl) 3-[2-[1-(4-cyclohexylbutylamino)-3-hydroxy-1-oxopropan-2-yl]phenyl]propanoate Traditional Name: 3-[2-[2-(4-cyclohexylbutylamino)-2-keto-1-methylol-ethyl]phenyl]propionic acid (4-amino-4-keto-butyl) ester Formula: C26H40N2O5 MolecularWeight: 460.6062

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCCNC(=O)C(CO)C2=CC=CC=C2CCC(=O)OCCCC(=O)N

Isomeric SMILES

C1CCC(CC1)CCCCNC(=O)C(CO)C2=CC=CC=C2CCC(=O)OCCCC(=O)N

InChI

InChI=1S/C26H40N2O5/c27-24(30)14-8-18-33-25(31)16-15-21-12-4-5-13-22(21)23(19-29)26(32)28-17-7-6-11-20-9-2-1-3-10-20/h4-5,12-13,20,23,29H,1-3,6-11,14-19H2,(H2,27,30)(H,28,32)