5-acetamido-6-[(1R)-2-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanyl-ethyl]-4-oxidanyl-2-phenylmethoxy-oxane-2-carboxylic acid

Systemtic Name: 5-acetamido-6-[(1R)-2-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanyl-ethyl]-4-oxidanyl-2-phenylmethoxy-oxane-2-carboxylic acid Openeye Name: 5-acetamido-2-benzyloxy-4-hydroxy-6-[(1R)-1-hydroxy-2-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]ethyl]tetrahydropyran-2-carboxylic acid CAS Name: 5-acetamido-4-hydroxy-6-[(1R)-1-hydroxy-2-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]ethyl]-2-phenylmethoxy-2-oxanecarboxylic acid IUPAC Name: 5-acetamido-4-hydroxy-6-[(1R)-1-hydroxy-2-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]ethyl]-2-phenylmethoxyoxane-2-carboxylic acid Traditional Name: 5-acetamido-2-benzoxy-4-hydroxy-6-[(1R)-1-hydroxy-2-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]ethyl]tetrahydropyran-2-carboxylic acid Formula: C28H33N3O9 MolecularWeight: 555.57632

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(OC1C(CNC(CC2=CNC3=CC=CC=C32)C(=O)O)O)(C(=O)O)OCC4=CC=CC=C4)O

Isomeric SMILES

CC(=O)NC1C(CC(OC1[C@@H](CNC(CC2=CNC3=CC=CC=C32)C(=O)O)O)(C(=O)O)OCC4=CC=CC=C4)O

InChI

InChI=1S/C28H33N3O9/c1-16(32)31-24-22(33)12-28(27(37)38,39-15-17-7-3-2-4-8-17)40-25(24)23(34)14-30-21(26(35)36)11-18-13-29-20-10-6-5-9-19(18)20/h2-10,13,21-25,29-30,33-34H,11-12,14-15H2,1H3,(H,31,32)(H,35,36)(H,37,38)/t21?,22?,23-,24?,25?,28?/m1/s1