2-[2-[2,6-bis(azanyl)hexanoylamino]propanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-[2,6-bis(azanyl)hexanoylamino]propanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[2-(2,6-diaminohexanoylamino)propanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[(2,6-diamino-1-oxohexyl)amino]-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[2-(2,6-diaminohexanoylamino)propanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[2-(2,6-diaminohexanoylamino)propanoylamino]-4-(methylthio)butyric acid Formula: C14H28N4O4S MolecularWeight: 348.46152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCSC)C(=O)O)NC(=O)C(CCCCN)N

Isomeric SMILES

CC(C(=O)NC(CCSC)C(=O)O)NC(=O)C(CCCCN)N

InChI

InChI=1S/C14H28N4O4S/c1-9(17-13(20)10(16)5-3-4-7-15)12(19)18-11(14(21)22)6-8-23-2/h9-11H,3-8,15-16H2,1-2H3,(H,17,20)(H,18,19)(H,21,22)