2,3,4,6-tetraacetyloxy-5-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]hexanoic acid

Systemtic Name: 2,3,4,6-tetraacetyloxy-5-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]hexanoic acid Openeye Name: 2,3,4,6-tetraacetoxy-5-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]hexanoic acid CAS Name: 2,3,4,6-tetraacetyloxy-5-[[4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]hexanoic acid IUPAC Name: 2,3,4,6-tetraacetyloxy-5-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]hexanoic acid Traditional Name: 2,3,4,6-tetraacetoxy-5-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]hexanoic acid Formula: C28H38N2O13 MolecularWeight: 610.60692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(COC(=O)C)C(C(C(C(=O)O)OC(=O)C)OC(=O)C)OC(=O)C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)CC(C(=O)NC(COC(=O)C)C(C(C(C(=O)O)OC(=O)C)OC(=O)C)OC(=O)C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C28H38N2O13/c1-15(2)12-21(30-28(38)40-13-20-10-8-7-9-11-20)26(35)29-22(14-39-16(3)31)23(41-17(4)32)24(42-18(5)33)25(27(36)37)43-19(6)34/h7-11,15,21-25H,12-14H2,1-6H3,(H,29,35)(H,30,38)(H,36,37)