2-[2-[2-[(2-azanyl-3-methyl-butanoyl)amino]ethanoylamino]ethanoylamino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[2-[2-[(2-azanyl-3-methyl-butanoyl)amino]ethanoylamino]ethanoylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[2-[[2-[(2-amino-3-methyl-butanoyl)amino]acetyl]amino]acetyl]amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[2-[[2-[(2-amino-3-methyl-1-oxobutyl)amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[[2-[[2-[(2-amino-3-methylbutanoyl)amino]acetyl]amino]acetyl]amino]-3-sulfanylpropanoic acid Traditional Name: 2-[[2-[[2-[(2-amino-3-methyl-butanoyl)amino]acetyl]amino]acetyl]amino]-3-mercapto-propionic acid Formula: C12H22N4O5S MolecularWeight: 334.39188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22N4O5S/c1-6(2)10(13)11(19)15-3-8(17)14-4-9(18)16-7(5-22)12(20)21/h6-7,10,22H,3-5,13H2,1-2H3,(H,14,17)(H,15,19)(H,16,18)(H,20,21)