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

Systemtic Name: methyl (2S)-5-[bis(azanyl)methylideneamino]-2-(naphthalen-2-ylsulfonylamino)pentanoate Openeye Name: methyl (2S)-5-guanidino-2-(2-naphthylsulfonylamino)pentanoate CAS Name: (2S)-5-(diaminomethylideneamino)-2-(2-naphthalenylsulfonylamino)pentanoic acid methyl ester IUPAC Name: methyl (2S)-5-(diaminomethylideneamino)-2-(naphthalen-2-ylsulfonylamino)pentanoate Traditional Name: (2S)-5-guanidino-2-(2-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=CC2=CC=CC=C2C=C1

Isomeric SMILES

COC(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C17H22N4O4S/c1-25-16(22)15(7-4-10-20-17(18)19)21-26(23,24)14-9-8-12-5-2-3-6-13(12)11-14/h2-3,5-6,8-9,11,15,21H,4,7,10H2,1H3,(H4,18,19,20)/t15-/m0/s1