2-azanyl-3-(2-azanyl-2-oxidanylidene-ethyl)-5-(2-azanylpropanoylamino)-4-oxidanylidene-6-sulfanyl-hexanoic acid

Systemtic Name: 2-azanyl-3-(2-azanyl-2-oxidanylidene-ethyl)-5-(2-azanylpropanoylamino)-4-oxidanylidene-6-sulfanyl-hexanoic acid Openeye Name: 2-amino-3-(2-amino-2-oxo-ethyl)-5-(2-aminopropanoylamino)-4-oxo-6-sulfanyl-hexanoic acid CAS Name: 2-amino-3-(2-amino-2-oxoethyl)-5-[(2-amino-1-oxopropyl)amino]-6-mercapto-4-oxohexanoic acid IUPAC Name: 2-amino-3-(2-amino-2-oxoethyl)-5-(2-aminopropanoylamino)-4-oxo-6-sulfanylhexanoic acid Traditional Name: 5-(alanylamino)-2-amino-3-(2-amino-2-keto-ethyl)-4-keto-6-mercapto-hexanoic acid Formula: C11H20N4O5S MolecularWeight: 320.3653

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CS)C(=O)C(CC(=O)N)C(C(=O)O)N)N

Isomeric SMILES

CC(C(=O)NC(CS)C(=O)C(CC(=O)N)C(C(=O)O)N)N

InChI

InChI=1S/C11H20N4O5S/c1-4(12)10(18)15-6(3-21)9(17)5(2-7(13)16)8(14)11(19)20/h4-6,8,21H,2-3,12,14H2,1H3,(H2,13,16)(H,15,18)(H,19,20)