5-azanyl-2-[2-[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]propanoylamino]propanoylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[2-[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]propanoylamino]propanoylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[2-[2-[(2-amino-3-sulfanyl-propanoyl)amino]propanoylamino]propanoylamino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[2-[[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[2-[2-[(2-amino-3-sulfanylpropanoyl)amino]propanoylamino]propanoylamino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[2-[2-[(2-amino-3-mercapto-propanoyl)amino]propanoylamino]propanoylamino]-5-keto-valeric acid Formula: C14H25N5O6S MolecularWeight: 391.4432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H25N5O6S/c1-6(18-13(23)8(15)5-26)11(21)17-7(2)12(22)19-9(14(24)25)3-4-10(16)20/h6-9,26H,3-5,15H2,1-2H3,(H2,16,20)(H,17,21)(H,18,23)(H,19,22)(H,24,25)