methyl 5-[bis(azanyl)methylideneamino]-2-[(3,5-dimethylphenyl)methylsulfonylamino]pentanoate

Systemtic Name: methyl 5-[bis(azanyl)methylideneamino]-2-[(3,5-dimethylphenyl)methylsulfonylamino]pentanoate Openeye Name: methyl 2-[(3,5-dimethylphenyl)methylsulfonylamino]-5-guanidino-pentanoate CAS Name: 5-(diaminomethylideneamino)-2-[(3,5-dimethylphenyl)methylsulfonylamino]pentanoic acid methyl ester IUPAC Name: methyl 5-(diaminomethylideneamino)-2-[(3,5-dimethylphenyl)methylsulfonylamino]pentanoate Traditional Name: 2-[(3,5-dimethylbenzyl)sulfonylamino]-5-guanidino-valeric acid methyl ester Formula: C16H26N4O4S MolecularWeight: 370.46704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N4O4S/c1-11-7-12(2)9-13(8-11)10-25(22,23)20-14(15(21)24-3)5-4-6-19-16(17)18/h7-9,14,20H,4-6,10H2,1-3H3,(H4,17,18,19)