2-azanyl-2-(3-azanyl-3-oxidanylidene-propyl)-4-(2-azanylpropanoylamino)-6-methylsulfanyl-3-oxidanylidene-hexanoic acid

Systemtic Name: 2-azanyl-2-(3-azanyl-3-oxidanylidene-propyl)-4-(2-azanylpropanoylamino)-6-methylsulfanyl-3-oxidanylidene-hexanoic acid Openeye Name: 2-amino-2-(3-amino-3-oxo-propyl)-4-(2-aminopropanoylamino)-6-methylsulfanyl-3-oxo-hexanoic acid CAS Name: 2-amino-2-(3-amino-3-oxopropyl)-4-[(2-amino-1-oxopropyl)amino]-6-(methylthio)-3-oxohexanoic acid IUPAC Name: 2-amino-2-(3-amino-3-oxopropyl)-4-(2-aminopropanoylamino)-6-methylsulfanyl-3-oxohexanoic acid Traditional Name: 4-(alanylamino)-2-amino-2-(3-amino-3-keto-propyl)-3-keto-6-(methylthio)hexanoic acid Formula: C13H24N4O5S MolecularWeight: 348.41846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H24N4O5S/c1-7(14)11(20)17-8(4-6-23-2)10(19)13(16,12(21)22)5-3-9(15)18/h7-8H,3-6,14,16H2,1-2H3,(H2,15,18)(H,17,20)(H,21,22)