(2S)-2,5-bis[(3,4-dichlorophenyl)carbamoylamino]pentanoate

Systemtic Name: (2S)-2,5-bis[(3,4-dichlorophenyl)carbamoylamino]pentanoate Openeye Name: (2S)-2,5-bis[(3,4-dichlorophenyl)carbamoylamino]pentanoate CAS Name: (2S)-2,5-bis[[(3,4-dichloroanilino)-oxomethyl]amino]pentanoate IUPAC Name: (2S)-2,5-bis[(3,4-dichlorophenyl)carbamoylamino]pentanoate Traditional Name: (2S)-2,5-bis[(3,4-dichlorophenyl)carbamoylamino]valerate Formula: C19H17Cl4N4O4- MolecularWeight: 507.17468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)NCCCC(C(=O)[O-])NC(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)NCCC[C@@H](C(=O)[O-])NC(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl)Cl

InChI

InChI=1S/C19H18Cl4N4O4/c20-12-5-3-10(8-14(12)22)25-18(30)24-7-1-2-16(17(28)29)27-19(31)26-11-4-6-13(21)15(23)9-11/h3-6,8-9,16H,1-2,7H2,(H,28,29)(H2,24,25,30)(H2,26,27,31)/p-1/t16-/m0/s1