2-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-[[2-(tert-butoxycarbonylamino)acetyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-[[2-(tert-butoxycarbonylamino)acetyl]amino]-3-phenyl-propanoyl]amino]-4-(methylthio)butyric acid Formula: C21H31N3O6S MolecularWeight: 453.55234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C21H31N3O6S/c1-21(2,3)30-20(29)22-13-17(25)23-16(12-14-8-6-5-7-9-14)18(26)24-15(19(27)28)10-11-31-4/h5-9,15-16H,10-13H2,1-4H3,(H,22,29)(H,23,25)(H,24,26)(H,27,28)