phenylmethoxycarbonyl 5-azanyl-2-(octan-3-ylamino)-5-oxidanylidene-pentanoate

Systemtic Name: phenylmethoxycarbonyl 5-azanyl-2-(octan-3-ylamino)-5-oxidanylidene-pentanoate Openeye Name: benzyloxycarbonyl 5-amino-2-(1-ethylhexylamino)-5-oxo-pentanoate CAS Name: 5-amino-2-(octan-3-ylamino)-5-oxopentanoic acid phenylmethoxycarbonyl ester IUPAC Name: phenylmethoxycarbonyl 5-amino-2-(octan-3-ylamino)-5-oxopentanoate Traditional Name: 5-amino-2-(1-ethylhexylamino)-5-keto-valeric acid carbobenzoxy ester Formula: C21H32N2O5 MolecularWeight: 392.48918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)NC(CCC(=O)N)C(=O)OC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCC(CC)NC(CCC(=O)N)C(=O)OC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H32N2O5/c1-3-5-7-12-17(4-2)23-18(13-14-19(22)24)20(25)28-21(26)27-15-16-10-8-6-9-11-16/h6,8-11,17-18,23H,3-5,7,12-15H2,1-2H3,(H2,22,24)