2-[[5-azanyl-2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[[5-azanyl-2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[[5-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxo-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[5-amino-2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[[5-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[[5-amino-5-keto-2-(tyrosylamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C23H28N4O7 MolecularWeight: 472.49102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)NC(CCC(=O)N)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)N)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)NC(CCC(=O)N)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)N)O

InChI

InChI=1S/C23H28N4O7/c24-17(11-13-1-5-15(28)6-2-13)21(31)26-18(9-10-20(25)30)22(32)27-19(23(33)34)12-14-3-7-16(29)8-4-14/h1-8,17-19,28-29H,9-12,24H2,(H2,25,30)(H,26,31)(H,27,32)(H,33,34)