5-(3,3-diethoxypropylamino)-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: 5-(3,3-diethoxypropylamino)-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoate Openeye Name: 4-(benzyloxycarbonylamino)-5-(3,3-diethoxypropylamino)-5-oxo-pentanoate CAS Name: 5-(3,3-diethoxypropylamino)-5-oxo-4-(phenylmethoxycarbonylamino)pentanoate IUPAC Name: 5-(3,3-diethoxypropylamino)-5-oxo-4-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 4-(benzyloxycarbonylamino)-5-(3,3-diethoxypropylamino)-5-keto-valerate Formula: C20H29N2O7- MolecularWeight: 409.45346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCNC(=O)C(CCC(=O)[O-])NC(=O)OCC1=CC=CC=C1)OCC

Isomeric SMILES

CCOC(CCNC(=O)C(CCC(=O)[O-])NC(=O)OCC1=CC=CC=C1)OCC

InChI

InChI=1S/C20H30N2O7/c1-3-27-18(28-4-2)12-13-21-19(25)16(10-11-17(23)24)22-20(26)29-14-15-8-6-5-7-9-15/h5-9,16,18H,3-4,10-14H2,1-2H3,(H,21,25)(H,22,26)(H,23,24)/p-1