2-[[6-azanyl-2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[6-azanyl-2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[6-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[6-amino-2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxohexyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[6-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[6-amino-2-(tyrosylamino)hexanoyl]amino]-4-(methylthio)butyric acid Formula: C20H32N4O5S MolecularWeight: 440.55688

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC1=CC=C(C=C1)O)N

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC1=CC=C(C=C1)O)N

InChI

InChI=1S/C20H32N4O5S/c1-30-11-9-17(20(28)29)24-19(27)16(4-2-3-10-21)23-18(26)15(22)12-13-5-7-14(25)8-6-13/h5-8,15-17,25H,2-4,9-12,21-22H2,1H3,(H,23,26)(H,24,27)(H,28,29)