2-azanyl-5-[bis(azanyl)methylideneamino]-N-[1-(4-phenylmethoxyphenyl)ethyl]pentanamide

Systemtic Name: 2-azanyl-5-[bis(azanyl)methylideneamino]-N-[1-(4-phenylmethoxyphenyl)ethyl]pentanamide Openeye Name: 2-amino-N-[1-(4-benzyloxyphenyl)ethyl]-5-guanidino-pentanamide CAS Name: 2-amino-5-(diaminomethylideneamino)-N-[1-(4-phenylmethoxyphenyl)ethyl]pentanamide IUPAC Name: 2-amino-5-(diaminomethylideneamino)-N-[1-(4-phenylmethoxyphenyl)ethyl]pentanamide Traditional Name: 2-amino-N-[1-(4-benzoxyphenyl)ethyl]-5-guanidino-valeramide Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OCC2=CC=CC=C2)NC(=O)C(CCCN=C(N)N)N

Isomeric SMILES

CC(C1=CC=C(C=C1)OCC2=CC=CC=C2)NC(=O)C(CCCN=C(N)N)N

InChI

InChI=1S/C21H29N5O2/c1-15(26-20(27)19(22)8-5-13-25-21(23)24)17-9-11-18(12-10-17)28-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,15,19H,5,8,13-14,22H2,1H3,(H,26,27)(H4,23,24,25)