2-azanyl-5-[bis(azanyl)methylideneamino]-N-(2,2-diphenylethanoyl)-N-[(4-hydroxyphenyl)methyl]pentanamide

Systemtic Name: 2-azanyl-5-[bis(azanyl)methylideneamino]-N-(2,2-diphenylethanoyl)-N-[(4-hydroxyphenyl)methyl]pentanamide Openeye Name: 2-amino-N-(2,2-diphenylacetyl)-5-guanidino-N-[(4-hydroxyphenyl)methyl]pentanamide CAS Name: 2-amino-5-(diaminomethylideneamino)-N-[(4-hydroxyphenyl)methyl]-N-(1-oxo-2,2-diphenylethyl)pentanamide IUPAC Name: 2-amino-5-(diaminomethylideneamino)-N-(2,2-diphenylacetyl)-N-[(4-hydroxyphenyl)methyl]pentanamide Traditional Name: 2-amino-N-(2,2-diphenylacetyl)-5-guanidino-N-(4-hydroxybenzyl)valeramide Formula: C27H31N5O3 MolecularWeight: 473.56674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)N(CC3=CC=C(C=C3)O)C(=O)C(CCCN=C(N)N)N

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)N(CC3=CC=C(C=C3)O)C(=O)C(CCCN=C(N)N)N

InChI

InChI=1S/C27H31N5O3/c28-23(12-7-17-31-27(29)30)25(34)32(18-19-13-15-22(33)16-14-19)26(35)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,13-16,23-24,33H,7,12,17-18,28H2,(H4,29,30,31)