(phenylmethyl) 2,5-bis(azanyl)-7-methyl-2-(2-methylpentan-3-yl)-3-oxidanyl-4-oxidanylidene-octanoate

Systemtic Name: (phenylmethyl) 2,5-bis(azanyl)-7-methyl-2-(2-methylpentan-3-yl)-3-oxidanyl-4-oxidanylidene-octanoate Openeye Name: benzyl 2,5-diamino-2-(1-ethyl-2-methyl-propyl)-3-hydroxy-7-methyl-4-oxo-octanoate CAS Name: 2,5-diamino-3-hydroxy-7-methyl-2-(2-methylpentan-3-yl)-4-oxooctanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2,5-diamino-3-hydroxy-7-methyl-2-(2-methylpentan-3-yl)-4-oxooctanoate Traditional Name: 2,5-diamino-2-(1-ethyl-2-methyl-propyl)-3-hydroxy-4-keto-7-methyl-caprylic acid benzyl ester Formula: C22H36N2O4 MolecularWeight: 392.53224

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)C)C(C(C(=O)C(CC(C)C)N)O)(C(=O)OCC1=CC=CC=C1)N

Isomeric SMILES

CCC(C(C)C)C(C(C(=O)C(CC(C)C)N)O)(C(=O)OCC1=CC=CC=C1)N

InChI

InChI=1S/C22H36N2O4/c1-6-17(15(4)5)22(24,20(26)19(25)18(23)12-14(2)3)21(27)28-13-16-10-8-7-9-11-16/h7-11,14-15,17-18,20,26H,6,12-13,23-24H2,1-5H3