12-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]dodecanoic acid

Systemtic Name: 12-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]dodecanoic acid Openeye Name: 12-[[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]dodecanoic acid CAS Name: 12-[[(2S)-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]amino]dodecanoic acid IUPAC Name: 12-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]dodecanoic acid Traditional Name: 12-[[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]lauric acid Formula: C22H42N2O5 MolecularWeight: 414.57928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCCCCCCCCCCC(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)NCCCCCCCCCCCC(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H42N2O5/c1-17(2)19(24-21(28)29-22(3,4)5)20(27)23-16-14-12-10-8-6-7-9-11-13-15-18(25)26/h17,19H,6-16H2,1-5H3,(H,23,27)(H,24,28)(H,25,26)/t19-/m0/s1