methyl (2R)-3-bromanyl-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-4-methylsulfanyl-2-(prop-2-enoxycarbonylamino)butanoyl]amino]propanoyl]amino]propanoate

Systemtic Name: methyl (2R)-3-bromanyl-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-4-methylsulfanyl-2-(prop-2-enoxycarbonylamino)butanoyl]amino]propanoyl]amino]propanoate Openeye Name: methyl (2R)-2-[[(2S)-2-[[(2S)-2-(allyloxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-bromo-propanoate CAS Name: (2R)-3-bromo-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-4-(methylthio)-1-oxo-2-[[oxo(prop-2-enoxy)methyl]amino]butyl]amino]-1-oxopropyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-3-bromo-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-4-methylsulfanyl-2-(prop-2-enoxycarbonylamino)butanoyl]amino]propanoyl]amino]propanoate Traditional Name: (2R)-2-[[(2S)-2-[[(2S)-2-(allyloxycarbonylamino)-4-(methylthio)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-bromo-propionic acid methyl ester Formula: C22H30BrN3O7S MolecularWeight: 560.4585

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CBr)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CCSC)NC(=O)OCC=C

Isomeric SMILES

COC(=O)[C@H](CBr)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CCSC)NC(=O)OCC=C

InChI

InChI=1S/C22H30BrN3O7S/c1-4-10-33-22(31)26-16(9-11-34-3)19(28)24-17(12-14-5-7-15(27)8-6-14)20(29)25-18(13-23)21(30)32-2/h4-8,16-18,27H,1,9-13H2,2-3H3,(H,24,28)(H,25,29)(H,26,31)/t16-,17-,18-/m0/s1