4-carbamimidoyl-N-[[(2S)-1-[(2S)-2-(naphthalen-2-ylsulfonylamino)-3-oxidanyl-propanoyl]pyrrolidin-2-yl]methyl]benzamide

Systemtic Name: 4-carbamimidoyl-N-[[(2S)-1-[(2S)-2-(naphthalen-2-ylsulfonylamino)-3-oxidanyl-propanoyl]pyrrolidin-2-yl]methyl]benzamide Openeye Name: 4-carbamimidoyl-N-[[(2S)-1-[(2S)-3-hydroxy-2-(2-naphthylsulfonylamino)propanoyl]pyrrolidin-2-yl]methyl]benzamide CAS Name: 4-carbamimidoyl-N-[[(2S)-1-[(2S)-3-hydroxy-2-(2-naphthalenylsulfonylamino)-1-oxopropyl]-2-pyrrolidinyl]methyl]benzamide IUPAC Name: 4-carbamimidoyl-N-[[(2S)-1-[(2S)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidin-2-yl]methyl]benzamide Traditional Name: 4-amidino-N-[[(2S)-1-[(2S)-3-hydroxy-2-(2-naphthylsulfonylamino)propanoyl]pyrrolidin-2-yl]methyl]benzamide Formula: C26H29N5O5S MolecularWeight: 523.60396

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CO)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)CNC(=O)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CO)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)CNC(=O)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H29N5O5S/c27-24(28)18-7-9-19(10-8-18)25(33)29-15-21-6-3-13-31(21)26(34)23(16-32)30-37(35,36)22-12-11-17-4-1-2-5-20(17)14-22/h1-2,4-5,7-12,14,21,23,30,32H,3,6,13,15-16H2,(H3,27,28)(H,29,33)/t21-,23-/m0/s1