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

Systemtic Name: (2S)-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]azaniumyl]-3-phenyl-propanoate Openeye Name: (2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-4-methyl-pentyl]ammonio]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentyl]ammonio]-3-phenylpropanoate IUPAC Name: (2S)-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]azaniumyl]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-4-methyl-pentyl]ammonio]-3-phenyl-propionate Formula: C20H32N2O4 MolecularWeight: 364.47908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C[NH2+]C(CC1=CC=CC=C1)C(=O)[O-])NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@@H](C[NH2+][C@@H](CC1=CC=CC=C1)C(=O)[O-])NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H32N2O4/c1-14(2)11-16(22-19(25)26-20(3,4)5)13-21-17(18(23)24)12-15-9-7-6-8-10-15/h6-10,14,16-17,21H,11-13H2,1-5H3,(H,22,25)(H,23,24)/t16-,17-/m0/s1