N-[1-(1,3-benzothiazol-2-yl)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-1-methylsulfonyl-4-oxidanyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[1-(1,3-benzothiazol-2-yl)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-1-methylsulfonyl-4-oxidanyl-pyrrolidine-2-carboxamide Openeye Name: N-[1-(1,3-benzothiazole-2-carbonyl)-4-guanidino-butyl]-4-hydroxy-1-methylsulfonyl-pyrrolidine-2-carboxamide CAS Name: N-[1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-hydroxy-1-methylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-[1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-hydroxy-1-methylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-[1-(1,3-benzothiazole-2-carbonyl)-4-guanidino-butyl]-4-hydroxy-1-mesyl-pyrrolidine-2-carboxamide Formula: C19H26N6O5S2 MolecularWeight: 482.57694

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(CC1C(=O)NC(CCCN=C(N)N)C(=O)C2=NC3=CC=CC=C3S2)O

Isomeric SMILES

CS(=O)(=O)N1CC(CC1C(=O)NC(CCCN=C(N)N)C(=O)C2=NC3=CC=CC=C3S2)O

InChI

InChI=1S/C19H26N6O5S2/c1-32(29,30)25-10-11(26)9-14(25)17(28)23-13(6-4-8-22-19(20)21)16(27)18-24-12-5-2-3-7-15(12)31-18/h2-3,5,7,11,13-14,26H,4,6,8-10H2,1H3,(H,23,28)(H4,20,21,22)