(2S)-2-acetamido-N-[(2S)-1-[[(3S)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-methyl-pentanamide

Systemtic Name: (2S)-2-acetamido-N-[(2S)-1-[[(3S)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-methyl-pentanamide Openeye Name: (2S)-2-acetamido-N-[(1S)-1-benzyl-2-[[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidyl]amino]-2-oxo-ethyl]-4-methyl-pentanamide CAS Name: (2S)-2-acetamido-N-[(2S)-1-[[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidinyl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylpentanamide IUPAC Name: (2S)-2-acetamido-N-[(2S)-1-[[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylpentanamide Traditional Name: (2S)-2-acetamido-N-[(1S)-2-[[(3S)-1-amidino-2-hydroxy-3-piperidyl]amino]-1-benzyl-2-keto-ethyl]-4-methyl-valeramide Formula: C23H36N6O4 MolecularWeight: 460.56974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC2CCCN(C2O)C(=N)N)NC(=O)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@H]2CCCN(C2O)C(=N)N)NC(=O)C

InChI

InChI=1S/C23H36N6O4/c1-14(2)12-18(26-15(3)30)20(31)28-19(13-16-8-5-4-6-9-16)21(32)27-17-10-7-11-29(22(17)33)23(24)25/h4-6,8-9,14,17-19,22,33H,7,10-13H2,1-3H3,(H3,24,25)(H,26,30)(H,27,32)(H,28,31)/t17-,18-,19-,22?/m0/s1