5-[bis(azanyl)methylideneamino]-2-[pentoxycarbonyl-(8-sulfanylidene-9H-purin-7-yl)amino]pentanoic acid

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[pentoxycarbonyl-(8-sulfanylidene-9H-purin-7-yl)amino]pentanoic acid Openeye Name: 5-guanidino-2-[pentoxycarbonyl-(8-thioxo-9H-purin-7-yl)amino]pentanoic acid CAS Name: 5-(diaminomethylideneamino)-2-[[oxo(pentoxy)methyl]-(8-sulfanylidene-9H-purin-7-yl)amino]pentanoic acid IUPAC Name: 5-(diaminomethylideneamino)-2-[pentoxycarbonyl-(8-sulfanylidene-9H-purin-7-yl)amino]pentanoic acid Traditional Name: 2-[amoxycarbonyl-(8-thioxo-9H-purin-7-yl)amino]-5-guanidino-valeric acid Formula: C17H26N8O4S MolecularWeight: 438.50454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)N(C(CCCN=C(N)N)C(=O)O)N1C2=CN=CN=C2NC1=S

Isomeric SMILES

CCCCCOC(=O)N(C(CCCN=C(N)N)C(=O)O)N1C2=CN=CN=C2NC1=S

InChI

InChI=1S/C17H26N8O4S/c1-2-3-4-8-29-17(28)25(11(14(26)27)6-5-7-21-15(18)19)24-12-9-20-10-22-13(12)23-16(24)30/h9-11H,2-8H2,1H3,(H,26,27)(H4,18,19,21)(H,20,22,23,30)