(2S)-N-[4-[bis(azanyl)methylideneamino]butyl]-1-[(2S)-4-methyl-2-[(phenylmethyl)sulfonylamino]pentanoyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[4-[bis(azanyl)methylideneamino]butyl]-1-[(2S)-4-methyl-2-[(phenylmethyl)sulfonylamino]pentanoyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2S)-2-(benzylsulfonylamino)-4-methyl-pentanoyl]-N-(4-guanidinobutyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[4-(diaminomethylideneamino)butyl]-1-[(2S)-4-methyl-1-oxo-2-[(phenylmethyl)sulfonylamino]pentyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2S)-2-(benzylsulfonylamino)-4-methylpentanoyl]-N-[4-(diaminomethylideneamino)butyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(2S)-2-(benzylsulfonylamino)-4-methyl-pentanoyl]-N-(4-guanidinobutyl)pyrrolidine-2-carboxamide Formula: C23H38N6O4S MolecularWeight: 494.65062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCC1C(=O)NCCCCN=C(N)N)NS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)NCCCCN=C(N)N)NS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C23H38N6O4S/c1-17(2)15-19(28-34(32,33)16-18-9-4-3-5-10-18)22(31)29-14-8-11-20(29)21(30)26-12-6-7-13-27-23(24)25/h3-5,9-10,17,19-20,28H,6-8,11-16H2,1-2H3,(H,26,30)(H4,24,25,27)/t19-,20-/m0/s1