(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]-N-butyl-N-naphthalen-1-ylsulfonyl-pentanamide; ethanoic acid

Systemtic Name: (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]-N-butyl-N-naphthalen-1-ylsulfonyl-pentanamide; ethanoic acid Openeye Name: acetic acid; (2S)-2-amino-N-butyl-5-guanidino-N-(1-naphthylsulfonyl)pentanamide CAS Name: acetic acid; (2S)-2-amino-N-butyl-5-(diaminomethylideneamino)-N-(1-naphthalenylsulfonyl)pentanamide IUPAC Name: acetic acid; (2S)-2-amino-N-butyl-5-(diaminomethylideneamino)-N-naphthalen-1-ylsulfonylpentanamide Traditional Name: acetic acid; (2S)-2-amino-N-butyl-5-guanidino-N-(1-naphthylsulfonyl)valeramide Formula: C22H33N5O5S MolecularWeight: 479.59292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(=O)C(CCCN=C(N)N)N)S(=O)(=O)C1=CC=CC2=CC=CC=C21.CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O3S.C2H4O2/c1-2-3-14-25(19(26)17(21)11-7-13-24-20(22)23)29(27,28)18-12-6-9-15-8-4-5-10-16(15)18;1-2(3)4/h4-6,8-10,12,17H,2-3,7,11,13-14,21H2,1H3,(H4,22,23,24);1H3,(H,3,4)/t17-;/m0./s1