(2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-N-[(3S)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]-3-methyl-butanamide

Systemtic Name: (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-N-[(3S)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]-3-methyl-butanamide Openeye Name: (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidyl]-3-methyl-butanamide CAS Name: (2S)-2-[[(2S)-2-acetamido-1-oxo-3-phenylpropyl]amino]-N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidinyl]-3-methylbutanamide IUPAC Name: (2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]-3-methylbutanamide Traditional Name: (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-N-[(3S)-1-amidino-2-hydroxy-3-piperidyl]-3-methyl-butyramide Formula: C22H34N6O4 MolecularWeight: 446.54316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1CCCN(C1O)C(=N)N)NC(=O)C(CC2=CC=CC=C2)NC(=O)C

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@H]1CCCN(C1O)C(=N)N)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C

InChI

InChI=1S/C22H34N6O4/c1-13(2)18(20(31)26-16-10-7-11-28(21(16)32)22(23)24)27-19(30)17(25-14(3)29)12-15-8-5-4-6-9-15/h4-6,8-9,13,16-18,21,32H,7,10-12H2,1-3H3,(H3,23,24)(H,25,29)(H,26,31)(H,27,30)/t16-,17-,18-,21?/m0/s1