7-[bis(azanyl)methylideneamino]-N-[2-(4-oxidanylbutylamino)-2-oxidanylidene-1-phenylmethoxy-ethyl]heptanamide

Systemtic Name: 7-[bis(azanyl)methylideneamino]-N-[2-(4-oxidanylbutylamino)-2-oxidanylidene-1-phenylmethoxy-ethyl]heptanamide Openeye Name: N-[1-benzyloxy-2-(4-hydroxybutylamino)-2-oxo-ethyl]-7-guanidino-heptanamide CAS Name: 7-(diaminomethylideneamino)-N-[2-(4-hydroxybutylamino)-2-oxo-1-phenylmethoxyethyl]heptanamide IUPAC Name: 7-(diaminomethylideneamino)-N-[2-(4-hydroxybutylamino)-2-oxo-1-phenylmethoxyethyl]heptanamide Traditional Name: N-[1-benzoxy-2-(4-hydroxybutylamino)-2-keto-ethyl]-7-guanidino-enanthamide Formula: C21H35N5O4 MolecularWeight: 421.5337

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(C(=O)NCCCCO)NC(=O)CCCCCCN=C(N)N

Isomeric SMILES

C1=CC=C(C=C1)COC(C(=O)NCCCCO)NC(=O)CCCCCCN=C(N)N

InChI

InChI=1S/C21H35N5O4/c22-21(23)25-14-7-2-1-6-12-18(28)26-20(19(29)24-13-8-9-15-27)30-16-17-10-4-3-5-11-17/h3-5,10-11,20,27H,1-2,6-9,12-16H2,(H,24,29)(H,26,28)(H4,22,23,25)