methyl 2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoyl]amino]ethanoylamino]-3-oxidanyl-3-phenyl-propanoate

Systemtic Name: methyl 2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoyl]amino]ethanoylamino]-3-oxidanyl-3-phenyl-propanoate Openeye Name: methyl 2-[[2-[[2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]acetyl]amino]-3-hydroxy-3-phenyl-propanoate CAS Name: 3-hydroxy-2-[[2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[[2-(tert-butoxycarbonylamino)-4-(methylthio)butanoyl]amino]acetyl]amino]-3-hydroxy-3-phenyl-propionic acid methyl ester Formula: C22H33N3O7S MolecularWeight: 483.57832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCSC)C(=O)NCC(=O)NC(C(C1=CC=CC=C1)O)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCSC)C(=O)NCC(=O)NC(C(C1=CC=CC=C1)O)C(=O)OC

InChI

InChI=1S/C22H33N3O7S/c1-22(2,3)32-21(30)24-15(11-12-33-5)19(28)23-13-16(26)25-17(20(29)31-4)18(27)14-9-7-6-8-10-14/h6-10,15,17-18,27H,11-13H2,1-5H3,(H,23,28)(H,24,30)(H,25,26)