4-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoic acid

Systemtic Name: 4-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: 4-[[3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]amino]-3-(benzyloxycarbonylamino)-4-oxo-butanoic acid CAS Name: 4-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)-2-oxanyl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: 4-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: 4-[[3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]amino]-3-(benzyloxycarbonylamino)-4-keto-butyric acid Formula: C26H33N3O13 MolecularWeight: 595.55252

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1NC(=O)C(CC(=O)O)NC(=O)OCC2=CC=CC=C2)COC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)NC1C(C(C(OC1NC(=O)C(CC(=O)O)NC(=O)OCC2=CC=CC=C2)COC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C26H33N3O13/c1-13(30)27-21-23(41-16(4)33)22(40-15(3)32)19(12-38-14(2)31)42-25(21)29-24(36)18(10-20(34)35)28-26(37)39-11-17-8-6-5-7-9-17/h5-9,18-19,21-23,25H,10-12H2,1-4H3,(H,27,30)(H,28,37)(H,29,36)(H,34,35)