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

Systemtic Name: methyl 2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]propanoate Openeye Name: methyl 2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]propanoate CAS Name: 2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]propanoate Traditional Name: 2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]propionic acid methyl ester Formula: C21H31N3O6 MolecularWeight: 421.48734

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C)C(=O)OC)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C

Isomeric SMILES

CCC(C)C(C(=O)NC(C)C(=O)OC)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C

InChI

InChI=1S/C21H31N3O6/c1-6-12(2)18(20(28)22-13(3)21(29)30-5)24-19(27)17(23-14(4)25)11-15-7-9-16(26)10-8-15/h7-10,12-13,17-18,26H,6,11H2,1-5H3,(H,22,28)(H,23,25)(H,24,27)