5-[bis(azanyl)methylideneamino]-2-[(2-chloranyl-6-methoxy-7-pentoxycarbonyl-8H-purin-9-yl)amino]pentanoic acid

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[(2-chloranyl-6-methoxy-7-pentoxycarbonyl-8H-purin-9-yl)amino]pentanoic acid Openeye Name: 2-[(2-chloro-6-methoxy-7-pentoxycarbonyl-8H-purin-9-yl)amino]-5-guanidino-pentanoic acid CAS Name: 2-[[2-chloro-6-methoxy-7-[oxo(pentoxy)methyl]-8H-purin-9-yl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: 2-[(2-chloro-6-methoxy-7-pentoxycarbonyl-8H-purin-9-yl)amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 2-[(7-amoxycarbonyl-2-chloro-6-methoxy-8H-purin-9-yl)amino]-5-guanidino-valeric acid Formula: C18H29ClN8O5 MolecularWeight: 472.92646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)N1CN(C2=C1C(=NC(=N2)Cl)OC)NC(CCCN=C(N)N)C(=O)O

Isomeric SMILES

CCCCCOC(=O)N1CN(C2=C1C(=NC(=N2)Cl)OC)NC(CCCN=C(N)N)C(=O)O

InChI

InChI=1S/C18H29ClN8O5/c1-3-4-5-9-32-18(30)26-10-27(13-12(26)14(31-2)24-16(19)23-13)25-11(15(28)29)7-6-8-22-17(20)21/h11,25H,3-10H2,1-2H3,(H,28,29)(H4,20,21,22)