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

Systemtic Name: 2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[3-hydroxy-2-(tyrosylamino)butanoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C24H28N4O6 MolecularWeight: 468.50232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)N)O

Isomeric SMILES

CC(C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)N)O

InChI

InChI=1S/C24H28N4O6/c1-13(29)21(28-22(31)18(25)10-14-6-8-16(30)9-7-14)23(32)27-20(24(33)34)11-15-12-26-19-5-3-2-4-17(15)19/h2-9,12-13,18,20-21,26,29-30H,10-11,25H2,1H3,(H,27,32)(H,28,31)(H,33,34)