2-[[2-[(2-azaniumyl-3-methyl-butanoyl)amino]-3-phenyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: 2-[[2-[(2-azaniumyl-3-methyl-butanoyl)amino]-3-phenyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoate Openeye Name: 2-[[2-[(2-azaniumyl-3-methyl-butanoyl)amino]-3-phenyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: 2-[[2-[(2-ammonio-3-methyl-1-oxobutyl)amino]-1-oxo-3-phenylpropyl]amino]-3-(4-hydroxyphenyl)propanoate IUPAC Name: 2-[[2-[(2-azaniumyl-3-methylbutanoyl)amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: 2-[[2-[(2-ammonio-3-methyl-butanoyl)amino]-3-phenyl-propanoyl]amino]-3-(4-hydroxyphenyl)propionate Formula: C23H29N3O5 MolecularWeight: 427.49346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)[O-])[NH3+]

Isomeric SMILES

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)[O-])[NH3+]

InChI

InChI=1S/C23H29N3O5/c1-14(2)20(24)22(29)25-18(12-15-6-4-3-5-7-15)21(28)26-19(23(30)31)13-16-8-10-17(27)11-9-16/h3-11,14,18-20,27H,12-13,24H2,1-2H3,(H,25,29)(H,26,28)(H,30,31)