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

Systemtic Name: butyl (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-3-methyl-butanoate Openeye Name: butyl (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2S)-2-acetamido-1-oxo-3-phenylpropyl]amino]-3-methylbutanoic acid butyl ester IUPAC Name: butyl (2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-3-methyl-butyric acid butyl ester Formula: C20H30N2O4 MolecularWeight: 362.4632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O4/c1-5-6-12-26-20(25)18(14(2)3)22-19(24)17(21-15(4)23)13-16-10-8-7-9-11-16/h7-11,14,17-18H,5-6,12-13H2,1-4H3,(H,21,23)(H,22,24)/t17-,18-/m0/s1