2-[[(E)-2-[2-[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]ethanoylamino]-3-phenyl-prop-2-enoyl]amino]-4-methylsulfanyl-butanamide

Systemtic Name: 2-[[(E)-2-[2-[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]ethanoylamino]-3-phenyl-prop-2-enoyl]amino]-4-methylsulfanyl-butanamide Openeye Name: 2-[[(E)-2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]acetyl]amino]-3-phenyl-prop-2-enoyl]amino]-4-methylsulfanyl-butanamide CAS Name: 2-[[(E)-2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylprop-2-enyl]amino]-4-(methylthio)butanamide IUPAC Name: 2-[[(E)-2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]acetyl]amino]-3-phenylprop-2-enoyl]amino]-4-methylsulfanylbutanamide Traditional Name: 4-(methylthio)-2-[[(E)-3-phenyl-2-[[2-[2-(tyrosylamino)propanoylamino]acetyl]amino]acryloyl]amino]butyramide Formula: C28H36N6O6S MolecularWeight: 584.68704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(=O)NC(=CC1=CC=CC=C1)C(=O)NC(CCSC)C(=O)N)NC(=O)C(CC2=CC=C(C=C2)O)N

Isomeric SMILES

CC(C(=O)NCC(=O)N/C(=C/C1=CC=CC=C1)/C(=O)NC(CCSC)C(=O)N)NC(=O)C(CC2=CC=C(C=C2)O)N

InChI

InChI=1S/C28H36N6O6S/c1-17(32-27(39)21(29)14-19-8-10-20(35)11-9-19)26(38)31-16-24(36)33-23(15-18-6-4-3-5-7-18)28(40)34-22(25(30)37)12-13-41-2/h3-11,15,17,21-22,35H,12-14,16,29H2,1-2H3,(H2,30,37)(H,31,38)(H,32,39)(H,33,36)(H,34,40)/b23-15+