4-[(E)-3-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-methyl-hex-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-3-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-methyl-hex-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-methyl-hex-1-enyl]benzoic acid CAS Name: 4-[(E)-3-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-5-methylhex-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-methylhex-1-enyl]benzoic acid Traditional Name: 4-[(E)-5-methyl-3-(tyrosylamino)hex-1-enyl]benzoic acid Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C=CC1=CC=C(C=C1)C(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)N

Isomeric SMILES

CC(C)CC(/C=C/C1=CC=C(C=C1)C(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)N

InChI

InChI=1S/C23H28N2O4/c1-15(2)13-19(10-5-16-3-8-18(9-4-16)23(28)29)25-22(27)21(24)14-17-6-11-20(26)12-7-17/h3-12,15,19,21,26H,13-14,24H2,1-2H3,(H,25,27)(H,28,29)/b10-5+