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(2S)-5-[bis(azanyl)methylideneamino]-2-[2-[2-(6-oxidanylidene-3H-purin-9-yl)ethoxy]ethoxycarbonylamino]pentanoic acid

(2S)-5-[bis(azanyl)methylideneamino]-2-[2-[2-(6-oxidanylidene-3H-purin-9-yl)ethoxy]ethoxycarbonylamino]pentanoic acid

Systemtic Name:(2S)-5-[bis(azanyl)methylideneamino]-2-[2-[2-(6-oxidanylidene-3H-purin-9-yl)ethoxy]ethoxycarbonylamino]pentanoic acid
Openeye Name:(2S)-5-guanidino-2-[2-[2-(6-oxo-3H-purin-9-yl)ethoxy]ethoxycarbonylamino]pentanoic acid
CAS Name:(2S)-5-(diaminomethylideneamino)-2-[[oxo-[2-[2-(6-oxo-3H-purin-9-yl)ethoxy]ethoxy]methyl]amino]pentanoic acid
IUPAC Name:(2S)-5-(diaminomethylideneamino)-2-[2-[2-(6-oxo-3H-purin-9-yl)ethoxy]ethoxycarbonylamino]pentanoic acid
Traditional Name:(2S)-5-guanidino-2-[2-[2-(6-keto-3H-purin-9-yl)ethoxy]ethoxycarbonylamino]valeric acid
Formula: C16H24N8O6
MolecularWeight: 424.41176
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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=O)C2=C(N1)N(C=N2)CCOCCOC(=O)NC(CCCN=C(N)N)C(=O)O


Isomeric SMILES

C1=NC(=O)C2=C(N1)N(C=N2)CCOCCOC(=O)N[C@@H](CCCN=C(N)N)C(=O)O


InChI

InChI=1S/C16H24N8O6/c17-15(18)19-3-1-2-10(14(26)27)23-16(28)30-7-6-29-5-4-24-9-22-11-12(24)20-8-21-13(11)25/h8-10H,1-7H2,(H,23,28)(H,26,27)(H4,17,18,19)(H,20,21,25)/t10-/m0/s1


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