(2S)-2-[[(2S)-2-[2-[2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]amino]ethanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[2-[2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]amino]ethanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-3-(4-hydroxyphenyl)-1-oxo-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(E)-3-phenylacryloyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-(methylthio)butyric acid Formula: C36H41N5O8S MolecularWeight: 703.80444

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C36H41N5O8S/c1-50-19-18-28(36(48)49)41-35(47)30(20-25-10-6-3-7-11-25)40-33(45)23-37-32(44)22-38-34(46)29(21-26-12-15-27(42)16-13-26)39-31(43)17-14-24-8-4-2-5-9-24/h2-17,28-30,42H,18-23H2,1H3,(H,37,44)(H,38,46)(H,39,43)(H,40,45)(H,41,47)(H,48,49)/b17-14+/t28-,29-,30-/m0/s1