3-[2-[[2-azanyl-3-(4-hydroxyphenyl)-3-methyl-butanoyl]amino]propanoylamino]-3-cyano-propanoic acid

Systemtic Name: 3-[2-[[2-azanyl-3-(4-hydroxyphenyl)-3-methyl-butanoyl]amino]propanoylamino]-3-cyano-propanoic acid Openeye Name: 3-[2-[[2-amino-3-(4-hydroxyphenyl)-3-methyl-butanoyl]amino]propanoylamino]-3-cyano-propanoic acid CAS Name: 3-[[2-[[2-amino-3-(4-hydroxyphenyl)-3-methyl-1-oxobutyl]amino]-1-oxopropyl]amino]-3-cyanopropanoic acid IUPAC Name: 3-[2-[[2-amino-3-(4-hydroxyphenyl)-3-methylbutanoyl]amino]propanoylamino]-3-cyanopropanoic acid Traditional Name: 3-[2-[[2-amino-3-(4-hydroxyphenyl)-3-methyl-butanoyl]amino]propanoylamino]-3-cyano-propionic acid Formula: C18H24N4O5 MolecularWeight: 376.40696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC(=O)O)C#N)NC(=O)C(C(C)(C)C1=CC=C(C=C1)O)N

Isomeric SMILES

CC(C(=O)NC(CC(=O)O)C#N)NC(=O)C(C(C)(C)C1=CC=C(C=C1)O)N

InChI

InChI=1S/C18H24N4O5/c1-10(16(26)22-12(9-19)8-14(24)25)21-17(27)15(20)18(2,3)11-4-6-13(23)7-5-11/h4-7,10,12,15,23H,8,20H2,1-3H3,(H,21,27)(H,22,26)(H,24,25)