(2R,3R,4S)-4-azido-3-[6-(phenylmethoxycarbonylamino)hexanoylamino]-2-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]-3,4-dihydro-2H-pyran-6-carboxylic acid

Systemtic Name: (2R,3R,4S)-4-azido-3-[6-(phenylmethoxycarbonylamino)hexanoylamino]-2-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]-3,4-dihydro-2H-pyran-6-carboxylic acid Openeye Name: (2R,3R,4S)-4-azido-3-[6-(benzyloxycarbonylamino)hexanoylamino]-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid CAS Name: (2R,3R,4S)-4-azido-3-[[1-oxo-6-(phenylmethoxycarbonylamino)hexyl]amino]-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC Name: (2R,3R,4S)-4-azido-3-[6-(phenylmethoxycarbonylamino)hexanoylamino]-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid Traditional Name: (2R,3R,4S)-4-azido-3-[6-(benzyloxycarbonylamino)hexanoylamino]-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C23H31N5O9 MolecularWeight: 521.52034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCCCC(=O)NC2C(C=C(OC2C(C(CO)O)O)C(=O)O)N=[N+]=[N-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCCCCC(=O)N[C@@H]2[C@H](C=C(O[C@H]2[C@@H]([C@@H](CO)O)O)C(=O)O)N=[N+]=[N-]

InChI

InChI=1S/C23H31N5O9/c24-28-27-15-11-17(22(33)34)37-21(20(32)16(30)12-29)19(15)26-18(31)9-5-2-6-10-25-23(35)36-13-14-7-3-1-4-8-14/h1,3-4,7-8,11,15-16,19-21,29-30,32H,2,5-6,9-10,12-13H2,(H,25,35)(H,26,31)(H,33,34)/t15-,16+,19+,20+,21+/m0/s1