sodium (4S)-4-[(3,4-dichlorophenyl)carbonylamino]-5-(dipentylamino)-5-oxidanylidene-pentanoate

Systemtic Name: sodium (4S)-4-[(3,4-dichlorophenyl)carbonylamino]-5-(dipentylamino)-5-oxidanylidene-pentanoate Openeye Name: sodium (4S)-4-[(3,4-dichlorobenzoyl)amino]-5-(dipentylamino)-5-oxo-pentanoate CAS Name: sodium (4S)-4-[[(3,4-dichlorophenyl)-oxomethyl]amino]-5-(dipentylamino)-5-oxopentanoate IUPAC Name: sodium (4S)-4-[(3,4-dichlorobenzoyl)amino]-5-(dipentylamino)-5-oxopentanoate Traditional Name: sodium (4S)-5-(diamylamino)-4-[(3,4-dichlorobenzoyl)amino]-5-keto-valerate Formula: C22H31Cl2N2NaO4 MolecularWeight: 481.38831

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=O)C(CCC(=O)[O-])NC(=O)C1=CC(=C(C=C1)Cl)Cl.[Na+]

Isomeric SMILES

CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)[O-])NC(=O)C1=CC(=C(C=C1)Cl)Cl.[Na+]

InChI

InChI=1S/C22H32Cl2N2O4.Na/c1-3-5-7-13-26(14-8-6-4-2)22(30)19(11-12-20(27)28)25-21(29)16-9-10-17(23)18(24)15-16;/h9-10,15,19H,3-8,11-14H2,1-2H3,(H,25,29)(H,27,28);/q;+1/p-1/t19-;/m0./s1