ethyl 2-[[(2S)-6-azanyl-1-(hexylamino)-1-oxidanylidene-hexan-2-yl]amino]cyclohexane-1-carboxylate

Systemtic Name: ethyl 2-[[(2S)-6-azanyl-1-(hexylamino)-1-oxidanylidene-hexan-2-yl]amino]cyclohexane-1-carboxylate Openeye Name: ethyl 2-[[(1S)-5-amino-1-(hexylcarbamoyl)pentyl]amino]cyclohexanecarboxylate CAS Name: 2-[[(2S)-6-amino-1-(hexylamino)-1-oxohexan-2-yl]amino]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2S)-6-amino-1-(hexylamino)-1-oxohexan-2-yl]amino]cyclohexane-1-carboxylate Traditional Name: 2-[[(1S)-5-amino-1-(hexylcarbamoyl)pentyl]amino]cyclohexanecarboxylic acid ethyl ester Formula: C21H41N3O3 MolecularWeight: 383.56854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C(CCCCN)NC1CCCCC1C(=O)OCC

Isomeric SMILES

CCCCCCNC(=O)[C@H](CCCCN)NC1CCCCC1C(=O)OCC

InChI

InChI=1S/C21H41N3O3/c1-3-5-6-11-16-23-20(25)19(14-9-10-15-22)24-18-13-8-7-12-17(18)21(26)27-4-2/h17-19,24H,3-16,22H2,1-2H3,(H,23,25)/t17?,18?,19-/m0/s1