(2S)-2-[[(2S)-2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]amino]-3-phenyl-propanamide

Systemtic Name: (2S)-2-[[(2S)-2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]amino]-3-phenyl-propanamide Openeye Name: (2S)-2-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]amino]-3-phenyl-propanamide CAS Name: (2S)-2-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropyl]amino]-3-phenylpropanamide IUPAC Name: (2S)-2-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-3-phenylpropanamide Traditional Name: (2S)-2-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]amino]-3-phenyl-propionamide Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)NC(CC2=CC=CC=C2)C(=O)N)N)C)O

Isomeric SMILES

CC1=CC(=CC(=C1C[C@@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N)N)C)O

InChI

InChI=1S/C20H25N3O3/c1-12-8-15(24)9-13(2)16(12)11-17(21)20(26)23-18(19(22)25)10-14-6-4-3-5-7-14/h3-9,17-18,24H,10-11,21H2,1-2H3,(H2,22,25)(H,23,26)/t17-,18-/m0/s1