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

Systemtic Name: 2-[[2-[2-[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]ethanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[3-(4-hydroxyphenyl)-2-[[2-[[2-(tyrosylamino)acetyl]amino]acetyl]amino]propanoyl]amino]-4-(methylthio)butyric acid Formula: C27H35N5O8S MolecularWeight: 589.6605

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)CNC(=O)CNC(=O)C(CC2=CC=C(C=C2)O)N

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)CNC(=O)CNC(=O)C(CC2=CC=C(C=C2)O)N

InChI

InChI=1S/C27H35N5O8S/c1-41-11-10-21(27(39)40)32-26(38)22(13-17-4-8-19(34)9-5-17)31-24(36)15-29-23(35)14-30-25(37)20(28)12-16-2-6-18(33)7-3-16/h2-9,20-22,33-34H,10-15,28H2,1H3,(H,29,35)(H,30,37)(H,31,36)(H,32,38)(H,39,40)