2-[2-[[6-azanyl-2-[2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]ethanoylamino]hexanoyl]amino]propanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-[[6-azanyl-2-[2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]ethanoylamino]hexanoyl]amino]propanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[2-[[6-amino-2-[[2-[(2,4-diamino-4-oxo-butanoyl)amino]acetyl]amino]hexanoyl]amino]propanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[[6-amino-2-[[2-[(2,4-diamino-1,4-dioxobutyl)amino]-1-oxoethyl]amino]-1-oxohexyl]amino]-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[2-[[6-amino-2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]acetyl]amino]hexanoyl]amino]propanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[2-[[6-amino-2-[[2-[(2,4-diamino-4-keto-butanoyl)amino]acetyl]amino]hexanoyl]amino]propanoylamino]-4-(methylthio)butyric acid Formula: C20H37N7O7S MolecularWeight: 519.61548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H37N7O7S/c1-11(17(30)27-14(20(33)34)6-8-35-2)25-19(32)13(5-3-4-7-21)26-16(29)10-24-18(31)12(22)9-15(23)28/h11-14H,3-10,21-22H2,1-2H3,(H2,23,28)(H,24,31)(H,25,32)(H,26,29)(H,27,30)(H,33,34)