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

Systemtic Name: (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]-N-butyl-N-(6-methoxynaphthalen-2-yl)sulfonyl-pentanamide Openeye Name: (2S)-2-amino-N-butyl-5-guanidino-N-[(6-methoxy-2-naphthyl)sulfonyl]pentanamide CAS Name: (2S)-2-amino-N-butyl-5-(diaminomethylideneamino)-N-[(6-methoxy-2-naphthalenyl)sulfonyl]pentanamide IUPAC Name: (2S)-2-amino-N-butyl-5-(diaminomethylideneamino)-N-(6-methoxynaphthalen-2-yl)sulfonylpentanamide Traditional Name: (2S)-2-amino-N-butyl-5-guanidino-N-[(6-methoxy-2-naphthyl)sulfonyl]valeramide Formula: C21H31N5O4S MolecularWeight: 449.56694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(=O)C(CCCN=C(N)N)N)S(=O)(=O)C1=CC2=C(C=C1)C=C(C=C2)OC

Isomeric SMILES

CCCCN(C(=O)[C@H](CCCN=C(N)N)N)S(=O)(=O)C1=CC2=C(C=C1)C=C(C=C2)OC

InChI

InChI=1S/C21H31N5O4S/c1-3-4-12-26(20(27)19(22)6-5-11-25-21(23)24)31(28,29)18-10-8-15-13-17(30-2)9-7-16(15)14-18/h7-10,13-14,19H,3-6,11-12,22H2,1-2H3,(H4,23,24,25)/t19-/m0/s1