2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxybutanoic acid Traditional Name: 3-hydroxy-2-[[3-mercapto-2-(tyrosylamino)propanoyl]amino]butyric acid Formula: C16H23N3O6S MolecularWeight: 385.43532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)C(CS)NC(=O)C(CC1=CC=C(C=C1)O)N)O

Isomeric SMILES

CC(C(C(=O)O)NC(=O)C(CS)NC(=O)C(CC1=CC=C(C=C1)O)N)O

InChI

InChI=1S/C16H23N3O6S/c1-8(20)13(16(24)25)19-15(23)12(7-26)18-14(22)11(17)6-9-2-4-10(21)5-3-9/h2-5,8,11-13,20-21,26H,6-7,17H2,1H3,(H,18,22)(H,19,23)(H,24,25)