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

Systemtic Name: 2-[[4-azanyl-2-[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]propanoylamino]-4-oxidanylidene-butanoyl]amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[4-amino-2-[2-[(2-amino-3-sulfanyl-propanoyl)amino]propanoylamino]-4-oxo-butanoyl]amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[4-amino-2-[[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[[4-amino-2-[2-[(2-amino-3-sulfanylpropanoyl)amino]propanoylamino]-4-oxobutanoyl]amino]-3-sulfanylpropanoic acid Traditional Name: 2-[[4-amino-2-[2-[(2-amino-3-mercapto-propanoyl)amino]propanoylamino]-4-keto-butanoyl]amino]-3-mercapto-propionic acid Formula: C13H23N5O6S2 MolecularWeight: 409.48162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23N5O6S2/c1-5(16-11(21)6(14)3-25)10(20)17-7(2-9(15)19)12(22)18-8(4-26)13(23)24/h5-8,25-26H,2-4,14H2,1H3,(H2,15,19)(H,16,21)(H,17,20)(H,18,22)(H,23,24)