6-azanyl-2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanylpropanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[3-mercapto-2-(tyrosylamino)propanoyl]amino]hexanoic acid Formula: C18H28N4O5S MolecularWeight: 412.50372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)NC(CS)C(=O)NC(CCCCN)C(=O)O)N)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)NC(CS)C(=O)NC(CCCCN)C(=O)O)N)O

InChI

InChI=1S/C18H28N4O5S/c19-8-2-1-3-14(18(26)27)21-17(25)15(10-28)22-16(24)13(20)9-11-4-6-12(23)7-5-11/h4-7,13-15,23,28H,1-3,8-10,19-20H2,(H,21,25)(H,22,24)(H,26,27)