5-azanyl-2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoic acid Traditional Name: 5-amino-5-keto-2-[[3-mercapto-2-(tyrosylamino)propanoyl]amino]valeric acid Formula: C17H24N4O6S MolecularWeight: 412.46066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O6S/c18-11(7-9-1-3-10(22)4-2-9)15(24)21-13(8-28)16(25)20-12(17(26)27)5-6-14(19)23/h1-4,11-13,22,28H,5-8,18H2,(H2,19,23)(H,20,25)(H,21,24)(H,26,27)