[(2R,3S,4R,5S)-5-[2-[5-[4-[2-(5-nitrothiophen-2-yl)ethynyl]phenyl]-1,2,3,4-tetrazol-2-yl]ethyl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-[(2R,3S)-2-azanyl-3-methyl-pentanoyl]sulfamate

Systemtic Name: [(2R,3S,4R,5S)-5-[2-[5-[4-[2-(5-nitrothiophen-2-yl)ethynyl]phenyl]-1,2,3,4-tetrazol-2-yl]ethyl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-[(2R,3S)-2-azanyl-3-methyl-pentanoyl]sulfamate Openeye Name: [(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-[5-[4-[2-(5-nitro-2-thienyl)ethynyl]phenyl]tetrazol-2-yl]ethyl]tetrahydrofuran-2-yl]methyl N-[(2R,3S)-2-amino-3-methyl-pentanoyl]sulfamate CAS Name: N-[(2R,3S)-2-amino-3-methyl-1-oxopentyl]sulfamic acid [(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-[5-[4-[2-(5-nitro-2-thiophenyl)ethynyl]phenyl]-2-tetrazolyl]ethyl]-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-[5-[4-[2-(5-nitrothiophen-2-yl)ethynyl]phenyl]tetrazol-2-yl]ethyl]oxolan-2-yl]methyl N-[(2R,3S)-2-amino-3-methylpentanoyl]sulfamate Traditional Name: N-[(2R,3S)-2-amino-3-methyl-pentanoyl]sulfamic acid [(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-[5-[4-[2-(5-nitro-2-thienyl)ethynyl]phenyl]tetrazol-2-yl]ethyl]tetrahydrofuran-2-yl]methyl ester Formula: C26H31N7O9S2 MolecularWeight: 649.69584

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NS(=O)(=O)OCC1C(C(C(O1)CCN2N=C(N=N2)C3=CC=C(C=C3)C#CC4=CC=C(S4)[N+](=O)[O-])O)O)N

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)CCN2N=C(N=N2)C3=CC=C(C=C3)C#CC4=CC=C(S4)[N+](=O)[O-])O)O)N

InChI

InChI=1S/C26H31N7O9S2/c1-3-15(2)22(27)26(36)30-44(39,40)41-14-20-24(35)23(34)19(42-20)12-13-32-29-25(28-31-32)17-7-4-16(5-8-17)6-9-18-10-11-21(43-18)33(37)38/h4-5,7-8,10-11,15,19-20,22-24,34-35H,3,12-14,27H2,1-2H3,(H,30,36)/t15-,19-,20+,22+,23-,24+/m0/s1