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

Systemtic Name: 1-carbamimidoyl-N-[[(2S)-1-[(2S)-2-(naphthalen-2-ylsulfonylamino)-3-oxidanyl-propanoyl]pyrrolidin-2-yl]methyl]piperidine-4-carboxamide Openeye Name: 1-carbamimidoyl-N-[[(2S)-1-[(2S)-3-hydroxy-2-(2-naphthylsulfonylamino)propanoyl]pyrrolidin-2-yl]methyl]piperidine-4-carboxamide CAS Name: 1-carbamimidoyl-N-[[(2S)-1-[(2S)-3-hydroxy-2-(2-naphthalenylsulfonylamino)-1-oxopropyl]-2-pyrrolidinyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-carbamimidoyl-N-[[(2S)-1-[(2S)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidin-2-yl]methyl]piperidine-4-carboxamide Traditional Name: 1-amidino-N-[[(2S)-1-[(2S)-3-hydroxy-2-(2-naphthylsulfonylamino)propanoyl]pyrrolidin-2-yl]methyl]isonipecotamide Formula: C25H34N6O5S MolecularWeight: 530.63966

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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)C4CCN(CC4)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)C4CCN(CC4)C(=N)N

InChI

InChI=1S/C25H34N6O5S/c26-25(27)30-12-9-18(10-13-30)23(33)28-15-20-6-3-11-31(20)24(34)22(16-32)29-37(35,36)21-8-7-17-4-1-2-5-19(17)14-21/h1-2,4-5,7-8,14,18,20,22,29,32H,3,6,9-13,15-16H2,(H3,26,27)(H,28,33)/t20-,22-/m0/s1