5-[bis(azanyl)methylideneamino]-2-[(8-diazanylpurin-7-yl)-pentoxycarbonyl-amino]pentanoic acid

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[(8-diazanylpurin-7-yl)-pentoxycarbonyl-amino]pentanoic acid Openeye Name: 5-guanidino-2-[(8-hydrazinopurin-7-yl)-pentoxycarbonyl-amino]pentanoic acid CAS Name: 5-(diaminomethylideneamino)-2-[(8-hydrazinyl-7-purinyl)-[oxo(pentoxy)methyl]amino]pentanoic acid IUPAC Name: 5-(diaminomethylideneamino)-2-[(8-hydrazinylpurin-7-yl)-pentoxycarbonylamino]pentanoic acid Traditional Name: 2-[amoxycarbonyl-(8-hydrazinopurin-7-yl)amino]-5-guanidino-valeric acid Formula: C17H28N10O4 MolecularWeight: 436.46882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)N(C(CCCN=C(N)N)C(=O)O)N1C2=CN=CN=C2N=C1NN

Isomeric SMILES

CCCCCOC(=O)N(C(CCCN=C(N)N)C(=O)O)N1C2=CN=CN=C2N=C1NN

InChI

InChI=1S/C17H28N10O4/c1-2-3-4-8-31-17(30)27(11(14(28)29)6-5-7-22-15(18)19)26-12-9-21-10-23-13(12)24-16(26)25-20/h9-11H,2-8,20H2,1H3,(H,28,29)(H4,18,19,22)(H,21,23,24,25)