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

Systemtic Name: 2-[[3-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoylamino]butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[[2-(tert-butoxycarbonylamino)acetyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[3-methyl-2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]amino]-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[3-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]butanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[[2-(tert-butoxycarbonylamino)acetyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propionic acid Formula: C21H31N3O6 MolecularWeight: 421.48734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C21H31N3O6/c1-13(2)17(24-16(25)12-22-20(29)30-21(3,4)5)18(26)23-15(19(27)28)11-14-9-7-6-8-10-14/h6-10,13,15,17H,11-12H2,1-5H3,(H,22,29)(H,23,26)(H,24,25)(H,27,28)