2-[[4-azanyl-2-[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]propanoylamino]-4-oxidanylidene-butanoyl]amino]ethanoic acid

Systemtic Name: 2-[[4-azanyl-2-[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]propanoylamino]-4-oxidanylidene-butanoyl]amino]ethanoic acid Openeye Name: 2-[[4-amino-2-[2-[(2-amino-3-sulfanyl-propanoyl)amino]propanoylamino]-4-oxo-butanoyl]amino]acetic acid CAS Name: 2-[[4-amino-2-[[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-1-oxopropyl]amino]-1,4-dioxobutyl]amino]acetic acid IUPAC Name: 2-[[4-amino-2-[2-[(2-amino-3-sulfanylpropanoyl)amino]propanoylamino]-4-oxobutanoyl]amino]acetic acid Traditional Name: 2-[[4-amino-2-[2-[(2-amino-3-mercapto-propanoyl)amino]propanoylamino]-4-keto-butanoyl]amino]acetic acid Formula: C12H21N5O6S MolecularWeight: 363.39004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21N5O6S/c1-5(16-11(22)6(13)4-24)10(21)17-7(2-8(14)18)12(23)15-3-9(19)20/h5-7,24H,2-4,13H2,1H3,(H2,14,18)(H,15,23)(H,16,22)(H,17,21)(H,19,20)