methyl 5-[4-[bis(azanyl)methylideneamino]phenyl]-3-(3-carbamimidoylphenyl)pentanoate

Systemtic Name: methyl 5-[4-[bis(azanyl)methylideneamino]phenyl]-3-(3-carbamimidoylphenyl)pentanoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-5-(4-guanidinophenyl)pentanoate CAS Name: 3-(3-carbamimidoylphenyl)-5-[4-(diaminomethylideneamino)phenyl]pentanoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-5-[4-(diaminomethylideneamino)phenyl]pentanoate Traditional Name: 3-(3-amidinophenyl)-5-(4-guanidinophenyl)valeric acid methyl ester Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CCC1=CC=C(C=C1)N=C(N)N)C2=CC=CC(=C2)C(=N)N

Isomeric SMILES

COC(=O)CC(CCC1=CC=C(C=C1)N=C(N)N)C2=CC=CC(=C2)C(=N)N

InChI

InChI=1S/C20H25N5O2/c1-27-18(26)12-15(14-3-2-4-16(11-14)19(21)22)8-5-13-6-9-17(10-7-13)25-20(23)24/h2-4,6-7,9-11,15H,5,8,12H2,1H3,(H3,21,22)(H4,23,24,25)