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

Systemtic Name: (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]-N-(5-butyl-6-sulfamoyl-naphthalen-2-yl)pentanamide Openeye Name: (2S)-2-amino-N-(5-butyl-6-sulfamoyl-2-naphthyl)-5-guanidino-pentanamide CAS Name: (2S)-2-amino-N-(5-butyl-6-sulfamoyl-2-naphthalenyl)-5-(diaminomethylideneamino)pentanamide IUPAC Name: (2S)-2-amino-N-(5-butyl-6-sulfamoylnaphthalen-2-yl)-5-(diaminomethylideneamino)pentanamide Traditional Name: (2S)-2-amino-N-(5-butyl-6-sulfamoyl-2-naphthyl)-5-guanidino-valeramide Formula: C20H30N6O3S MolecularWeight: 434.5556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC2=C1C=CC(=C2)NC(=O)C(CCCN=C(N)N)N)S(=O)(=O)N

Isomeric SMILES

CCCCC1=C(C=CC2=C1C=CC(=C2)NC(=O)[C@H](CCCN=C(N)N)N)S(=O)(=O)N

InChI

InChI=1S/C20H30N6O3S/c1-2-3-5-16-15-9-8-14(12-13(15)7-10-18(16)30(24,28)29)26-19(27)17(21)6-4-11-25-20(22)23/h7-10,12,17H,2-6,11,21H2,1H3,(H,26,27)(H4,22,23,25)(H2,24,28,29)/t17-/m0/s1