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

Systemtic Name: 2-[[2-azanyl-3-(5-oxidanyl-1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-amino-3-(5-hydroxy-1H-indol-3-yl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)C(CC3=CNC4=C3C=C(C=C4)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)C(CC3=CNC4=C3C=C(C=C4)O)N

InChI

InChI=1S/C22H22N4O4/c23-17(7-12-10-25-19-6-5-14(27)9-16(12)19)21(28)26-20(22(29)30)8-13-11-24-18-4-2-1-3-15(13)18/h1-6,9-11,17,20,24-25,27H,7-8,23H2,(H,26,28)(H,29,30)