2-azanyl-5-[bis(azanyl)methylideneamino]-N-[(3-methoxy-4-oxidanyl-phenyl)methyl]pentanamide

Systemtic Name: 2-azanyl-5-[bis(azanyl)methylideneamino]-N-[(3-methoxy-4-oxidanyl-phenyl)methyl]pentanamide Openeye Name: 2-amino-5-guanidino-N-[(4-hydroxy-3-methoxy-phenyl)methyl]pentanamide CAS Name: 2-amino-5-(diaminomethylideneamino)-N-[(4-hydroxy-3-methoxyphenyl)methyl]pentanamide IUPAC Name: 2-amino-5-(diaminomethylideneamino)-N-[(4-hydroxy-3-methoxyphenyl)methyl]pentanamide Traditional Name: 2-amino-5-guanidino-N-vanillyl-valeramide Formula: C14H23N5O3 MolecularWeight: 309.36412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=O)C(CCCN=C(N)N)N)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=O)C(CCCN=C(N)N)N)O

InChI

InChI=1S/C14H23N5O3/c1-22-12-7-9(4-5-11(12)20)8-19-13(21)10(15)3-2-6-18-14(16)17/h4-5,7,10,20H,2-3,6,8,15H2,1H3,(H,19,21)(H4,16,17,18)