(2S)-3-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]azaniumyl]butanoate

Systemtic Name: (2S)-3-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]azaniumyl]butanoate Openeye Name: (2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-4-methyl-pentyl]ammonio]-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[[(2S)-4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentyl]ammonio]butanoate IUPAC Name: (2S)-3-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]azaniumyl]butanoate Traditional Name: (2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-4-methyl-pentyl]ammonio]-3-methyl-butyrate Formula: C16H32N2O4 MolecularWeight: 316.43628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C[NH2+]C(C(C)C)C(=O)[O-])NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@@H](C[NH2+][C@@H](C(C)C)C(=O)[O-])NC(=O)OC(C)(C)C

InChI

InChI=1S/C16H32N2O4/c1-10(2)8-12(18-15(21)22-16(5,6)7)9-17-13(11(3)4)14(19)20/h10-13,17H,8-9H2,1-7H3,(H,18,21)(H,19,20)/t12-,13-/m0/s1