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

Systemtic Name: 2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanylpropanoic acid Traditional Name: 2-[[3-(1H-imidazol-5-yl)-2-(tyrosylamino)propanoyl]amino]-3-mercapto-propionic acid Formula: C18H23N5O5S MolecularWeight: 421.47072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)NC(CC2=CN=CN2)C(=O)NC(CS)C(=O)O)N)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)NC(CC2=CN=CN2)C(=O)NC(CS)C(=O)O)N)O

InChI

InChI=1S/C18H23N5O5S/c19-13(5-10-1-3-12(24)4-2-10)16(25)22-14(6-11-7-20-9-21-11)17(26)23-15(8-29)18(27)28/h1-4,7,9,13-15,24,29H,5-6,8,19H2,(H,20,21)(H,22,25)(H,23,26)(H,27,28)