(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]-N-(5-pentyl-6-sulfamoyl-naphthalen-2-yl)pentanamide

Systemtic Name: (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]-N-(5-pentyl-6-sulfamoyl-naphthalen-2-yl)pentanamide Openeye Name: (2S)-2-amino-5-guanidino-N-(5-pentyl-6-sulfamoyl-2-naphthyl)pentanamide CAS Name: (2S)-2-amino-5-(diaminomethylideneamino)-N-(5-pentyl-6-sulfamoyl-2-naphthalenyl)pentanamide IUPAC Name: (2S)-2-amino-5-(diaminomethylideneamino)-N-(5-pentyl-6-sulfamoylnaphthalen-2-yl)pentanamide Traditional Name: (2S)-2-amino-N-(5-amyl-6-sulfamoyl-2-naphthyl)-5-guanidino-valeramide Formula: C21H32N6O3S MolecularWeight: 448.58218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=CC2=C1C=CC(=C2)NC(=O)C(CCCN=C(N)N)N)S(=O)(=O)N

Isomeric SMILES

CCCCCC1=C(C=CC2=C1C=CC(=C2)NC(=O)[C@H](CCCN=C(N)N)N)S(=O)(=O)N

InChI

InChI=1S/C21H32N6O3S/c1-2-3-4-6-17-16-10-9-15(13-14(16)8-11-19(17)31(25,29)30)27-20(28)18(22)7-5-12-26-21(23)24/h8-11,13,18H,2-7,12,22H2,1H3,(H,27,28)(H4,23,24,26)(H2,25,29,30)/t18-/m0/s1