2-[[2-azanyl-3-(5-oxidanyl-1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[[2-azanyl-3-(5-oxidanyl-1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[[2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[2-amino-3-(5-hydroxy-1H-indol-3-yl)-1-oxopropyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[[2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[[2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NC(=O)C(CC2=CNC3=C2C=C(C=C3)O)N)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)NC(=O)C(CC2=CNC3=C2C=C(C=C3)O)N)O

InChI

InChI=1S/C20H21N3O5/c21-16(8-12-10-22-17-6-5-14(25)9-15(12)17)19(26)23-18(20(27)28)7-11-1-3-13(24)4-2-11/h1-6,9-10,16,18,22,24-25H,7-8,21H2,(H,23,26)(H,27,28)