2-[[5-azanyl-2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[5-azanyl-2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[5-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxo-pentanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[5-amino-2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[5-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[5-amino-5-keto-2-(tyrosylamino)pentanoyl]amino]-4-(methylthio)butyric acid Formula: C19H28N4O6S MolecularWeight: 440.51382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O6S/c1-30-9-8-15(19(28)29)23-18(27)14(6-7-16(21)25)22-17(26)13(20)10-11-2-4-12(24)5-3-11/h2-5,13-15,24H,6-10,20H2,1H3,(H2,21,25)(H,22,26)(H,23,27)(H,28,29)