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

Systemtic Name: 2-[[4-azanyl-2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxo-butanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[4-amino-2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-amino-4-keto-2-(tyrosylamino)butanoyl]amino]-4-(methylthio)butyric acid Formula: C18H26N4O6S MolecularWeight: 426.48724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O6S/c1-29-7-6-13(18(27)28)21-17(26)14(9-15(20)24)22-16(25)12(19)8-10-2-4-11(23)5-3-10/h2-5,12-14,23H,6-9,19H2,1H3,(H2,20,24)(H,21,26)(H,22,25)(H,27,28)