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3-phenyl-2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]propanoic acid

3-phenyl-2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]propanoic acid

Systemtic Name:3-phenyl-2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]propanoic acid
Openeye Name:3-phenyl-2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]propanoic acid
CAS Name:2-[[1-oxo-5-(7H-purin-6-ylthio)pentyl]amino]-3-phenylpropanoic acid
IUPAC Name:3-phenyl-2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]propanoic acid
Traditional Name:3-phenyl-2-[5-(7H-purin-6-ylthio)pentanoylamino]propionic acid
Formula: C19H21N5O3S
MolecularWeight: 399.46674
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CCCCSC2=NC=NC3=C2NC=N3


Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CCCCSC2=NC=NC3=C2NC=N3


InChI

InChI=1S/C19H21N5O3S/c25-15(24-14(19(26)27)10-13-6-2-1-3-7-13)8-4-5-9-28-18-16-17(21-11-20-16)22-12-23-18/h1-3,6-7,11-12,14H,4-5,8-10H2,(H,24,25)(H,26,27)(H,20,21,22,23)


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