5-[bis(azanyl)methylideneamino]-2-[(6-chloranylpurin-7-yl)-pentoxycarbonyl-amino]pentanoic acid

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[(6-chloranylpurin-7-yl)-pentoxycarbonyl-amino]pentanoic acid Openeye Name: 2-[(6-chloropurin-7-yl)-pentoxycarbonyl-amino]-5-guanidino-pentanoic acid CAS Name: 2-[(6-chloro-7-purinyl)-[oxo(pentoxy)methyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: 2-[(6-chloropurin-7-yl)-pentoxycarbonylamino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 2-[amoxycarbonyl-(6-chloropurin-7-yl)amino]-5-guanidino-valeric acid Formula: C17H25ClN8O4 MolecularWeight: 440.8846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)N(C(CCCN=C(N)N)C(=O)O)N1C=NC2=C1C(=NC=N2)Cl

Isomeric SMILES

CCCCCOC(=O)N(C(CCCN=C(N)N)C(=O)O)N1C=NC2=C1C(=NC=N2)Cl

InChI

InChI=1S/C17H25ClN8O4/c1-2-3-4-8-30-17(29)26(11(15(27)28)6-5-7-21-16(19)20)25-10-24-14-12(25)13(18)22-9-23-14/h9-11H,2-8H2,1H3,(H,27,28)(H4,19,20,21)