(2S)-2-azanyl-5-[[(2R)-2-azanyl-3-[(2-azanyl-6-oxidanylidene-3H-purin-7-yl)sulfanyl]propanoyl]-(carboxymethyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[[(2R)-2-azanyl-3-[(2-azanyl-6-oxidanylidene-3H-purin-7-yl)sulfanyl]propanoyl]-(carboxymethyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[[(2R)-2-amino-3-[(2-amino-6-oxo-3H-purin-7-yl)sulfanyl]propanoyl]-(carboxymethyl)amino]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[[(2R)-2-amino-3-[(2-amino-6-oxo-3H-purin-7-yl)thio]-1-oxopropyl]-(carboxymethyl)amino]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[[(2R)-2-amino-3-[(2-amino-6-oxo-3H-purin-7-yl)sulfanyl]propanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-[[(2R)-2-amino-3-[(2-amino-6-keto-3H-purin-7-yl)thio]propanoyl]-(carboxymethyl)amino]-5-keto-valeric acid Formula: C15H20N8O7S MolecularWeight: 456.4337

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1SCC(C(=O)N(CC(=O)O)C(=O)CCC(C(=O)O)N)N)C(=O)N=C(N2)N

Isomeric SMILES

C1=NC2=C(N1SC[C@@H](C(=O)N(CC(=O)O)C(=O)CC[C@@H](C(=O)O)N)N)C(=O)N=C(N2)N

InChI

InChI=1S/C15H20N8O7S/c16-6(14(29)30)1-2-8(24)22(3-9(25)26)13(28)7(17)4-31-23-5-19-11-10(23)12(27)21-15(18)20-11/h5-7H,1-4,16-17H2,(H,25,26)(H,29,30)(H3,18,20,21,27)/t6-,7-/m0/s1