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

Systemtic Name: 2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoyl]amino]ethanoylamino]-3-oxidanyl-3-phenyl-propanoic acid Openeye Name: 2-[[2-[[2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]acetyl]amino]-3-hydroxy-3-phenyl-propanoic acid 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 IUPAC Name: 3-hydroxy-2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[[2-(tert-butoxycarbonylamino)-4-(methylthio)butanoyl]amino]acetyl]amino]-3-hydroxy-3-phenyl-propionic acid Formula: C21H31N3O7S MolecularWeight: 469.55174

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O7S/c1-21(2,3)31-20(30)23-14(10-11-32-4)18(27)22-12-15(25)24-16(19(28)29)17(26)13-8-6-5-7-9-13/h5-9,14,16-17,26H,10-12H2,1-4H3,(H,22,27)(H,23,30)(H,24,25)(H,28,29)