3-[[(2S)-3-methyl-2-(7H-purin-6-ylsulfanylmethoxycarbonylamino)butanoyl]amino]propanoic acid

Systemtic Name: 3-[[(2S)-3-methyl-2-(7H-purin-6-ylsulfanylmethoxycarbonylamino)butanoyl]amino]propanoic acid Openeye Name: 3-[[(2S)-3-methyl-2-(7H-purin-6-ylsulfanylmethoxycarbonylamino)butanoyl]amino]propanoic acid CAS Name: 3-[[(2S)-3-methyl-1-oxo-2-[[oxo-[(7H-purin-6-ylthio)methoxy]methyl]amino]butyl]amino]propanoic acid IUPAC Name: 3-[[(2S)-3-methyl-2-(7H-purin-6-ylsulfanylmethoxycarbonylamino)butanoyl]amino]propanoic acid Traditional Name: 3-[[(2S)-3-methyl-2-[(7H-purin-6-ylthio)methoxycarbonylamino]butanoyl]amino]propionic acid Formula: C15H20N6O5S MolecularWeight: 396.4215

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCC(=O)O)NC(=O)OCSC1=NC=NC2=C1NC=N2

Isomeric SMILES

CC(C)[C@@H](C(=O)NCCC(=O)O)NC(=O)OCSC1=NC=NC2=C1NC=N2

InChI

InChI=1S/C15H20N6O5S/c1-8(2)10(13(24)16-4-3-9(22)23)21-15(25)26-7-27-14-11-12(18-5-17-11)19-6-20-14/h5-6,8,10H,3-4,7H2,1-2H3,(H,16,24)(H,21,25)(H,22,23)(H,17,18,19,20)/t10-/m0/s1