2-[2-[(3-acetamido-2-methyl-2-sulfanyl-propanoyl)amino]ethanoylamino]-4-sulfanyl-butanoic acid

Systemtic Name: 2-[2-[(3-acetamido-2-methyl-2-sulfanyl-propanoyl)amino]ethanoylamino]-4-sulfanyl-butanoic acid Openeye Name: 2-[[2-[(3-acetamido-2-methyl-2-sulfanyl-propanoyl)amino]acetyl]amino]-4-sulfanyl-butanoic acid CAS Name: 2-[[2-[(3-acetamido-2-mercapto-2-methyl-1-oxopropyl)amino]-1-oxoethyl]amino]-4-mercaptobutanoic acid IUPAC Name: 2-[[2-[(3-acetamido-2-methyl-2-sulfanylpropanoyl)amino]acetyl]amino]-4-sulfanylbutanoic acid Traditional Name: 2-[[2-[(3-acetamido-2-mercapto-2-methyl-propanoyl)amino]acetyl]amino]-4-mercapto-butyric acid Formula: C12H21N3O5S2 MolecularWeight: 351.44224

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(C)(C(=O)NCC(=O)NC(CCS)C(=O)O)S

Isomeric SMILES

CC(=O)NCC(C)(C(=O)NCC(=O)NC(CCS)C(=O)O)S

InChI

InChI=1S/C12H21N3O5S2/c1-7(16)14-6-12(2,22)11(20)13-5-9(17)15-8(3-4-21)10(18)19/h8,21-22H,3-6H2,1-2H3,(H,13,20)(H,14,16)(H,15,17)(H,18,19)