benzamido-methyl-[(2S,3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-hexyl]-(phenylmethyl)azanium

Systemtic Name: benzamido-methyl-[(2S,3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-hexyl]-(phenylmethyl)azanium Openeye Name: benzamido-benzyl-[(2S,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-5-methyl-hexyl]-methyl-ammonium CAS Name: benzamido-[(2S,3S)-2-hydroxy-5-methyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzamido-benzyl-[(2S,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]-methylazanium Traditional Name: benzamido-benzyl-[(2S,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-5-methyl-hexyl]-methyl-ammonium Formula: C27H40N3O4+ MolecularWeight: 470.6242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C[N+](C)(CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@@H]([C@H](C[N+](C)(CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C27H39N3O4/c1-20(2)17-23(28-26(33)34-27(3,4)5)24(31)19-30(6,18-21-13-9-7-10-14-21)29-25(32)22-15-11-8-12-16-22/h7-16,20,23-24,31H,17-19H2,1-6H3,(H-,28,29,32,33)/p+1/t23-,24-,30?/m0/s1