methyl (2S)-5-[bis(azanyl)methylideneamino]-2-(naphthalen-1-ylsulfonylamino)pentanoate

Systemtic Name: methyl (2S)-5-[bis(azanyl)methylideneamino]-2-(naphthalen-1-ylsulfonylamino)pentanoate Openeye Name: methyl (2S)-5-guanidino-2-(1-naphthylsulfonylamino)pentanoate CAS Name: (2S)-5-(diaminomethylideneamino)-2-(1-naphthalenylsulfonylamino)pentanoic acid methyl ester IUPAC Name: methyl (2S)-5-(diaminomethylideneamino)-2-(naphthalen-1-ylsulfonylamino)pentanoate Traditional Name: (2S)-5-guanidino-2-(1-naphthylsulfonylamino)valeric acid methyl ester Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCN=C(N)N)NS(=O)(=O)C1=CC=CC2=CC=CC=C21

Isomeric SMILES

COC(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C17H22N4O4S/c1-25-16(22)14(9-5-11-20-17(18)19)21-26(23,24)15-10-4-7-12-6-2-3-8-13(12)15/h2-4,6-8,10,14,21H,5,9,11H2,1H3,(H4,18,19,20)/t14-/m0/s1