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

Systemtic Name: 2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-methyl-pentanoic acid Openeye Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[3-mercapto-2-(tyrosylamino)propanoyl]amino]-3-methyl-valeric acid Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O5S/c1-3-10(2)15(18(25)26)21-17(24)14(9-27)20-16(23)13(19)8-11-4-6-12(22)7-5-11/h4-7,10,13-15,22,27H,3,8-9,19H2,1-2H3,(H,20,23)(H,21,24)(H,25,26)