methyl 5-[bis(azanyl)methylideneamino]-2-[tris(4-methylphenyl)methylamino]pentanoate

Systemtic Name: methyl 5-[bis(azanyl)methylideneamino]-2-[tris(4-methylphenyl)methylamino]pentanoate Openeye Name: methyl 5-guanidino-2-(tris-p-tolylmethylamino)pentanoate CAS Name: 5-(diaminomethylideneamino)-2-[tris(4-methylphenyl)methylamino]pentanoic acid methyl ester IUPAC Name: methyl 5-(diaminomethylideneamino)-2-[tris(4-methylphenyl)methylamino]pentanoate Traditional Name: 5-guanidino-2-(tris-p-tolylmethylamino)valeric acid methyl ester Formula: C29H36N4O2 MolecularWeight: 472.62174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)(C3=CC=C(C=C3)C)NC(CCCN=C(N)N)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)(C3=CC=C(C=C3)C)NC(CCCN=C(N)N)C(=O)OC

InChI

InChI=1S/C29H36N4O2/c1-20-7-13-23(14-8-20)29(24-15-9-21(2)10-16-24,25-17-11-22(3)12-18-25)33-26(27(34)35-4)6-5-19-32-28(30)31/h7-18,26,33H,5-6,19H2,1-4H3,(H4,30,31,32)