methyl (2S)-2-[(4-methyl-2-phenylazanyl-pentanoyl)amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[(4-methyl-2-phenylazanyl-pentanoyl)amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(2-anilino-4-methyl-pentanoyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[(2-anilino-4-methyl-1-oxopentyl)amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-anilino-4-methylpentanoyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(2-anilino-4-methyl-pentanoyl)amino]-3-phenyl-propionic acid methyl ester Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)OC)NC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC)NC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O3/c1-16(2)14-19(23-18-12-8-5-9-13-18)21(25)24-20(22(26)27-3)15-17-10-6-4-7-11-17/h4-13,16,19-20,23H,14-15H2,1-3H3,(H,24,25)/t19?,20-/m0/s1