5-azanyl-5-oxidanylidene-4-[2-[2-(7H-purin-6-ylsulfanyl)ethanoylamino]propanoylamino]pentanoic acid

Systemtic Name: 5-azanyl-5-oxidanylidene-4-[2-[2-(7H-purin-6-ylsulfanyl)ethanoylamino]propanoylamino]pentanoic acid Openeye Name: 5-amino-5-oxo-4-[2-[[2-(7H-purin-6-ylsulfanyl)acetyl]amino]propanoylamino]pentanoic acid CAS Name: 5-amino-5-oxo-4-[[1-oxo-2-[[1-oxo-2-(7H-purin-6-ylthio)ethyl]amino]propyl]amino]pentanoic acid IUPAC Name: 5-amino-5-oxo-4-[2-[[2-(7H-purin-6-ylsulfanyl)acetyl]amino]propanoylamino]pentanoic acid Traditional Name: 5-amino-5-keto-4-[2-[[2-(7H-purin-6-ylthio)acetyl]amino]propanoylamino]valeric acid Formula: C15H19N7O5S MolecularWeight: 409.42026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCC(=O)O)C(=O)N)NC(=O)CSC1=NC=NC2=C1NC=N2

Isomeric SMILES

CC(C(=O)NC(CCC(=O)O)C(=O)N)NC(=O)CSC1=NC=NC2=C1NC=N2

InChI

InChI=1S/C15H19N7O5S/c1-7(14(27)22-8(12(16)26)2-3-10(24)25)21-9(23)4-28-15-11-13(18-5-17-11)19-6-20-15/h5-8H,2-4H2,1H3,(H2,16,26)(H,21,23)(H,22,27)(H,24,25)(H,17,18,19,20)