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

Systemtic Name: 2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[3-hydroxy-2-(tyrosylamino)propanoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C23H26N4O6 MolecularWeight: 454.47574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)C(CO)NC(=O)C(CC3=CC=C(C=C3)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)C(CO)NC(=O)C(CC3=CC=C(C=C3)O)N

InChI

InChI=1S/C23H26N4O6/c24-17(9-13-5-7-15(29)8-6-13)21(30)27-20(12-28)22(31)26-19(23(32)33)10-14-11-25-18-4-2-1-3-16(14)18/h1-8,11,17,19-20,25,28-29H,9-10,12,24H2,(H,26,31)(H,27,30)(H,32,33)