(2S)-1-[(2R)-2-acetamido-3-phenyl-propanoyl]-N-[(3S)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2R)-2-acetamido-3-phenyl-propanoyl]-N-[(3S)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2R)-2-acetamido-3-phenyl-propanoyl]-N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2R)-2-acetamido-1-oxo-3-phenylpropyl]-N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidinyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2R)-2-acetamido-3-phenylpropanoyl]-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(2R)-2-acetamido-3-phenyl-propanoyl]-N-[(3S)-1-amidino-2-hydroxy-3-piperidyl]pyrrolidine-2-carboxamide Formula: C22H32N6O4 MolecularWeight: 444.52728

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC3CCCN(C3O)C(=N)N

Isomeric SMILES

CC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@H]3CCCN(C3O)C(=N)N

InChI

InChI=1S/C22H32N6O4/c1-14(29)25-17(13-15-7-3-2-4-8-15)21(32)27-11-6-10-18(27)19(30)26-16-9-5-12-28(20(16)31)22(23)24/h2-4,7-8,16-18,20,31H,5-6,9-13H2,1H3,(H3,23,24)(H,25,29)(H,26,30)/t16-,17+,18-,20?/m0/s1