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

Systemtic Name: 2-[[2-[(2-azaniumyl-3-phenyl-propanoyl)amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoate Openeye Name: 2-[[2-[(2-azaniumyl-3-phenyl-propanoyl)amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-[(2-ammonio-1-oxo-3-phenylpropyl)amino]-3-methyl-1-oxobutyl]amino]-3-phenylpropanoate IUPAC Name: 2-[[2-[(2-azaniumyl-3-phenylpropanoyl)amino]-3-methylbutanoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[(2-ammonio-3-phenyl-propanoyl)amino]-3-methyl-butanoyl]amino]-3-phenyl-propionate Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4/c1-15(2)20(26-21(27)18(24)13-16-9-5-3-6-10-16)22(28)25-19(23(29)30)14-17-11-7-4-8-12-17/h3-12,15,18-20H,13-14,24H2,1-2H3,(H,25,28)(H,26,27)(H,29,30)