(2S)-N-(4-carbamimidoylphenyl)carbonyl-1-[(2R)-3-methyl-2-(sulfamoylamino)butanoyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(4-carbamimidoylphenyl)carbonyl-1-[(2R)-3-methyl-2-(sulfamoylamino)butanoyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(4-carbamimidoylbenzoyl)-1-[(2R)-3-methyl-2-(sulfamoylamino)butanoyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(4-carbamimidoylphenyl)-oxomethyl]-1-[(2R)-3-methyl-1-oxo-2-(sulfamoylamino)butyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(4-carbamimidoylbenzoyl)-1-[(2R)-3-methyl-2-(sulfamoylamino)butanoyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(4-amidinobenzoyl)-1-[(2R)-3-methyl-2-(sulfamoylamino)butanoyl]pyrrolidine-2-carboxamide Formula: C18H26N6O5S MolecularWeight: 438.50124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)NC(=O)C2=CC=C(C=C2)C(=N)N)NS(=O)(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C18H26N6O5S/c1-10(2)14(23-30(21,28)29)18(27)24-9-3-4-13(24)17(26)22-16(25)12-7-5-11(6-8-12)15(19)20/h5-8,10,13-14,23H,3-4,9H2,1-2H3,(H3,19,20)(H2,21,28,29)(H,22,25,26)/t13-,14+/m0/s1