(4S)-4-[3-[2,4-bis(oxidanyl)phenyl]propanoylamino]-5-oxidanylidene-5-piperazin-1-yl-pentanamide

Systemtic Name: (4S)-4-[3-[2,4-bis(oxidanyl)phenyl]propanoylamino]-5-oxidanylidene-5-piperazin-1-yl-pentanamide Openeye Name: (4S)-4-[3-(2,4-dihydroxyphenyl)propanoylamino]-5-oxo-5-piperazin-1-yl-pentanamide CAS Name: (4S)-4-[[3-(2,4-dihydroxyphenyl)-1-oxopropyl]amino]-5-oxo-5-(1-piperazinyl)pentanamide IUPAC Name: (4S)-4-[3-(2,4-dihydroxyphenyl)propanoylamino]-5-oxo-5-piperazin-1-ylpentanamide Traditional Name: (4S)-4-[3-(2,4-dihydroxyphenyl)propanoylamino]-5-keto-5-piperazino-valeramide Formula: C18H26N4O5 MolecularWeight: 378.42284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C(CCC(=O)N)NC(=O)CCC2=C(C=C(C=C2)O)O

Isomeric SMILES

C1CN(CCN1)C(=O)[C@H](CCC(=O)N)NC(=O)CCC2=C(C=C(C=C2)O)O

InChI

InChI=1S/C18H26N4O5/c19-16(25)5-4-14(18(27)22-9-7-20-8-10-22)21-17(26)6-2-12-1-3-13(23)11-15(12)24/h1,3,11,14,20,23-24H,2,4-10H2,(H2,19,25)(H,21,26)/t14-/m0/s1