butyl (2S)-5-[bis(azanyl)methylideneamino]-2-[(6-ethylnaphthalen-2-yl)sulfonylamino]pentanoate

Systemtic Name: butyl (2S)-5-[bis(azanyl)methylideneamino]-2-[(6-ethylnaphthalen-2-yl)sulfonylamino]pentanoate Openeye Name: butyl (2S)-2-[(6-ethyl-2-naphthyl)sulfonylamino]-5-guanidino-pentanoate CAS Name: (2S)-5-(diaminomethylideneamino)-2-[(6-ethyl-2-naphthalenyl)sulfonylamino]pentanoic acid butyl ester IUPAC Name: butyl (2S)-5-(diaminomethylideneamino)-2-[(6-ethylnaphthalen-2-yl)sulfonylamino]pentanoate Traditional Name: (2S)-2-[(6-ethyl-2-naphthyl)sulfonylamino]-5-guanidino-valeric acid butyl ester Formula: C22H32N4O4S MolecularWeight: 448.57888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CCCN=C(N)N)NS(=O)(=O)C1=CC2=C(C=C1)C=C(C=C2)CC

Isomeric SMILES

CCCCOC(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C1=CC2=C(C=C1)C=C(C=C2)CC

InChI

InChI=1S/C22H32N4O4S/c1-3-5-13-30-21(27)20(7-6-12-25-22(23)24)26-31(28,29)19-11-10-17-14-16(4-2)8-9-18(17)15-19/h8-11,14-15,20,26H,3-7,12-13H2,1-2H3,(H4,23,24,25)/t20-/m0/s1