5-(dipentylamino)-5-oxidanylidene-4-(phenylsulfanylmethyl)pentanoic acid

Systemtic Name: 5-(dipentylamino)-5-oxidanylidene-4-(phenylsulfanylmethyl)pentanoic acid Openeye Name: 5-(dipentylamino)-5-oxo-4-(phenylsulfanylmethyl)pentanoic acid CAS Name: 5-(dipentylamino)-5-oxo-4-[(phenylthio)methyl]pentanoic acid IUPAC Name: 5-(dipentylamino)-5-oxo-4-(phenylsulfanylmethyl)pentanoic acid Traditional Name: 5-(diamylamino)-5-keto-4-[(phenylthio)methyl]valeric acid Formula: C22H35NO3S MolecularWeight: 393.5832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=O)C(CCC(=O)O)CSC1=CC=CC=C1

Isomeric SMILES

CCCCCN(CCCCC)C(=O)C(CCC(=O)O)CSC1=CC=CC=C1

InChI

InChI=1S/C22H35NO3S/c1-3-5-10-16-23(17-11-6-4-2)22(26)19(14-15-21(24)25)18-27-20-12-8-7-9-13-20/h7-9,12-13,19H,3-6,10-11,14-18H2,1-2H3,(H,24,25)