(2S)-5-[bis(azanyl)methylideneamino]-2-(butylamino)-N-naphthalen-1-ylsulfonyl-pentanamide

Systemtic Name: (2S)-5-[bis(azanyl)methylideneamino]-2-(butylamino)-N-naphthalen-1-ylsulfonyl-pentanamide Openeye Name: (2S)-2-(butylamino)-5-guanidino-N-(1-naphthylsulfonyl)pentanamide CAS Name: (2S)-2-(butylamino)-5-(diaminomethylideneamino)-N-(1-naphthalenylsulfonyl)pentanamide IUPAC Name: (2S)-2-(butylamino)-5-(diaminomethylideneamino)-N-naphthalen-1-ylsulfonylpentanamide Traditional Name: (2S)-2-(butylamino)-5-guanidino-N-(1-naphthylsulfonyl)valeramide Formula: C20H29N5O3S MolecularWeight: 419.54096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O3S/c1-2-3-13-23-17(11-7-14-24-20(21)22)19(26)25-29(27,28)18-12-6-9-15-8-4-5-10-16(15)18/h4-6,8-10,12,17,23H,2-3,7,11,13-14H2,1H3,(H,25,26)(H4,21,22,24)/t17-/m0/s1