butyl (2S)-2-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: butyl (2S)-2-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoate Openeye Name: butyl (2S)-2-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-2-[[(2S)-2-acetamido-4-methyl-1-oxopentyl]amino]-3-(4-hydroxyphenyl)propanoic acid butyl ester IUPAC Name: butyl (2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propionic acid butyl ester Formula: C21H32N2O5 MolecularWeight: 392.48918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O5/c1-5-6-11-28-21(27)19(13-16-7-9-17(25)10-8-16)23-20(26)18(12-14(2)3)22-15(4)24/h7-10,14,18-19,25H,5-6,11-13H2,1-4H3,(H,22,24)(H,23,26)/t18-,19-/m0/s1