methyl 4-[[(2R)-2-[[(3R)-3-azanyl-4-cyclohexyl-2-oxidanyl-butanoyl]amino]propanoyl]oxymethyl]benzoate

Systemtic Name: methyl 4-[[(2R)-2-[[(3R)-3-azanyl-4-cyclohexyl-2-oxidanyl-butanoyl]amino]propanoyl]oxymethyl]benzoate Openeye Name: methyl 4-[[(2R)-2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxy-butanoyl]amino]propanoyl]oxymethyl]benzoate CAS Name: 4-[[(2R)-2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxy-1-oxobutyl]amino]-1-oxopropoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2R)-2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoyl]oxymethyl]benzoate Traditional Name: 4-[[(2R)-2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxy-butanoyl]amino]propanoyl]oxymethyl]benzoic acid methyl ester Formula: C22H32N2O6 MolecularWeight: 420.49928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=C(C=C1)C(=O)OC)NC(=O)C(C(CC2CCCCC2)N)O

Isomeric SMILES

C[C@H](C(=O)OCC1=CC=C(C=C1)C(=O)OC)NC(=O)C([C@@H](CC2CCCCC2)N)O

InChI

InChI=1S/C22H32N2O6/c1-14(21(27)30-13-16-8-10-17(11-9-16)22(28)29-2)24-20(26)19(25)18(23)12-15-6-4-3-5-7-15/h8-11,14-15,18-19,25H,3-7,12-13,23H2,1-2H3,(H,24,26)/t14-,18-,19?/m1/s1