3-[2-[4-[(E)-diazanylidenemethyl]phenyl]pentanoylamino]-4-phenylsulfanyl-butanoic acid

Systemtic Name: 3-[2-[4-[(E)-diazanylidenemethyl]phenyl]pentanoylamino]-4-phenylsulfanyl-butanoic acid Openeye Name: 3-[2-[4-[(E)-hydrazinylidenemethyl]phenyl]pentanoylamino]-4-phenylsulfanyl-butanoic acid CAS Name: 3-[[2-[4-[(E)-hydrazinylidenemethyl]phenyl]-1-oxopentyl]amino]-4-(phenylthio)butanoic acid IUPAC Name: 3-[2-[4-[(E)-hydrazinylidenemethyl]phenyl]pentanoylamino]-4-phenylsulfanylbutanoic acid Traditional Name: 3-[2-[4-[(E)-hydrazonomethyl]phenyl]pentanoylamino]-4-(phenylthio)butyric acid Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=C(C=C1)C=NN)C(=O)NC(CC(=O)O)CSC2=CC=CC=C2

Isomeric SMILES

CCCC(C1=CC=C(C=C1)/C=N/N)C(=O)NC(CC(=O)O)CSC2=CC=CC=C2

InChI

InChI=1S/C22H27N3O3S/c1-2-6-20(17-11-9-16(10-12-17)14-24-23)22(28)25-18(13-21(26)27)15-29-19-7-4-3-5-8-19/h3-5,7-12,14,18,20H,2,6,13,15,23H2,1H3,(H,25,28)(H,26,27)/b24-14+