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

Systemtic Name: (2S)-2-acetamido-4-methyl-N-[(2S)-1-[[(3S)-2-oxidanylazepan-3-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]pentanamide Openeye Name: (2S)-2-acetamido-N-[(1S)-1-benzyl-2-[[(3S)-2-hydroxyazepan-3-yl]amino]-2-oxo-ethyl]-4-methyl-pentanamide CAS Name: (2S)-2-acetamido-N-[(2S)-1-[[(3S)-2-hydroxy-3-azepanyl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylpentanamide IUPAC Name: (2S)-2-acetamido-N-[(2S)-1-[[(3S)-2-hydroxyazepan-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylpentanamide Traditional Name: (2S)-2-acetamido-N-[(1S)-1-benzyl-2-[[(3S)-2-hydroxyazepan-3-yl]amino]-2-keto-ethyl]-4-methyl-valeramide Formula: C23H36N4O4 MolecularWeight: 432.55634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC2CCCCNC2O)NC(=O)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@H]2CCCCNC2O)NC(=O)C

InChI

InChI=1S/C23H36N4O4/c1-15(2)13-19(25-16(3)28)22(30)27-20(14-17-9-5-4-6-10-17)23(31)26-18-11-7-8-12-24-21(18)29/h4-6,9-10,15,18-21,24,29H,7-8,11-14H2,1-3H3,(H,25,28)(H,26,31)(H,27,30)/t18-,19-,20-,21?/m0/s1