butyl (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-4-methyl-pentanoate

Systemtic Name: butyl (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-4-methyl-pentanoate Openeye Name: butyl (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S)-2-acetamido-1-oxo-3-phenylpropyl]amino]-4-methylpentanoic acid butyl ester IUPAC Name: butyl (2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-4-methyl-valeric acid butyl ester Formula: C21H32N2O4 MolecularWeight: 376.48978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCOC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C

InChI

InChI=1S/C21H32N2O4/c1-5-6-12-27-21(26)19(13-15(2)3)23-20(25)18(22-16(4)24)14-17-10-8-7-9-11-17/h7-11,15,18-19H,5-6,12-14H2,1-4H3,(H,22,24)(H,23,25)/t18-,19-/m0/s1