methyl 2-[[2-cyclohexyl-2-(7-oxidanylheptanoylamino)ethanoyl]amino]-3-(3-hydroxyphenyl)propanoate

Systemtic Name: methyl 2-[[2-cyclohexyl-2-(7-oxidanylheptanoylamino)ethanoyl]amino]-3-(3-hydroxyphenyl)propanoate Openeye Name: methyl 2-[[2-cyclohexyl-2-(7-hydroxyheptanoylamino)acetyl]amino]-3-(3-hydroxyphenyl)propanoate CAS Name: 2-[[2-cyclohexyl-2-[(7-hydroxy-1-oxoheptyl)amino]-1-oxoethyl]amino]-3-(3-hydroxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 2-[[2-cyclohexyl-2-(7-hydroxyheptanoylamino)acetyl]amino]-3-(3-hydroxyphenyl)propanoate Traditional Name: 2-[[2-cyclohexyl-2-(7-hydroxyheptanoylamino)acetyl]amino]-3-(3-hydroxyphenyl)propionic acid methyl ester Formula: C25H38N2O6 MolecularWeight: 462.57902

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC(=CC=C1)O)NC(=O)C(C2CCCCC2)NC(=O)CCCCCCO

Isomeric SMILES

COC(=O)C(CC1=CC(=CC=C1)O)NC(=O)C(C2CCCCC2)NC(=O)CCCCCCO

InChI

InChI=1S/C25H38N2O6/c1-33-25(32)21(17-18-10-9-13-20(29)16-18)26-24(31)23(19-11-5-4-6-12-19)27-22(30)14-7-2-3-8-15-28/h9-10,13,16,19,21,23,28-29H,2-8,11-12,14-15,17H2,1H3,(H,26,31)(H,27,30)