methyl 2-[[(2S)-4-methyl-2-(3-phenylpropanoylamino)pentanoyl]amino]butanoate

Systemtic Name: methyl 2-[[(2S)-4-methyl-2-(3-phenylpropanoylamino)pentanoyl]amino]butanoate Openeye Name: methyl 2-[[(2S)-4-methyl-2-(3-phenylpropanoylamino)pentanoyl]amino]butanoate CAS Name: 2-[[(2S)-4-methyl-1-oxo-2-[(1-oxo-3-phenylpropyl)amino]pentyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[[(2S)-4-methyl-2-(3-phenylpropanoylamino)pentanoyl]amino]butanoate Traditional Name: 2-[[(2S)-2-(hydrocinnamoylamino)-4-methyl-pentanoyl]amino]butyric acid methyl ester Formula: C20H30N2O4 MolecularWeight: 362.4632

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)NC(=O)C(CC(C)C)NC(=O)CCC1=CC=CC=C1

Isomeric SMILES

CCC(C(=O)OC)NC(=O)[C@H](CC(C)C)NC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C20H30N2O4/c1-5-16(20(25)26-4)22-19(24)17(13-14(2)3)21-18(23)12-11-15-9-7-6-8-10-15/h6-10,14,16-17H,5,11-13H2,1-4H3,(H,21,23)(H,22,24)/t16?,17-/m0/s1