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

Systemtic Name: (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-4-methyl-N-[(3S)-2-oxidanylazepan-3-yl]pentanamide Openeye Name: (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-N-[(3S)-2-hydroxyazepan-3-yl]-4-methyl-pentanamide CAS Name: (2S)-2-[[(2S)-2-acetamido-1-oxo-3-phenylpropyl]amino]-N-[(3S)-2-hydroxy-3-azepanyl]-4-methylpentanamide IUPAC Name: (2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-N-[(3S)-2-hydroxyazepan-3-yl]-4-methylpentanamide Traditional Name: (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-N-[(3S)-2-hydroxyazepan-3-yl]-4-methyl-valeramide Formula: C23H36N4O4 MolecularWeight: 432.55634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCCNC1O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@H]1CCCCNC1O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C

InChI

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