4-azanyl-2-[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]-3-(phenylcarbonyl)benzoic acid

Systemtic Name: 4-azanyl-2-[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]-3-(phenylcarbonyl)benzoic acid Openeye Name: 4-amino-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3-benzoyl-benzoic acid CAS Name: 4-amino-2-[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-3-benzoylbenzoic acid IUPAC Name: 4-amino-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3-benzoylbenzoic acid Traditional Name: 4-amino-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3-benzoyl-benzoic acid Formula: C23H20N2O5 MolecularWeight: 404.4153

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2C(=O)C(CC3=CC=C(C=C3)O)N)C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2C(=O)[C@H](CC3=CC=C(C=C3)O)N)C(=O)O)N

InChI

InChI=1S/C23H20N2O5/c24-17-11-10-16(23(29)30)19(20(17)21(27)14-4-2-1-3-5-14)22(28)18(25)12-13-6-8-15(26)9-7-13/h1-11,18,26H,12,24-25H2,(H,29,30)/t18-/m0/s1