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

Systemtic Name: (2S)-2-[[(2S)-3-methyl-2-(7H-purin-6-ylsulfanylmethoxycarbonylamino)butanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2S)-3-methyl-2-(7H-purin-6-ylsulfanylmethoxycarbonylamino)butanoyl]amino]propanoic acid CAS Name: (2S)-2-[[(2S)-3-methyl-1-oxo-2-[[oxo-[(7H-purin-6-ylthio)methoxy]methyl]amino]butyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(2S)-3-methyl-2-(7H-purin-6-ylsulfanylmethoxycarbonylamino)butanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(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)NC(C)C(=O)O)NC(=O)OCSC1=NC=NC2=C1NC=N2

Isomeric SMILES

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

InChI

InChI=1S/C15H20N6O5S/c1-7(2)9(12(22)20-8(3)14(23)24)21-15(25)26-6-27-13-10-11(17-4-16-10)18-5-19-13/h4-5,7-9H,6H2,1-3H3,(H,20,22)(H,21,25)(H,23,24)(H,16,17,18,19)/t8-,9-/m0/s1