methyl (2R,3R,4S)-3-acetamido-4-azido-2-[(S)-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]carbamoyl]oxy-[(4R)-2-oxidanylidene-1,3-dioxolan-4-yl]methyl]-3,4-dihydro-2H-pyran-6-carboxylate

Systemtic Name: methyl (2R,3R,4S)-3-acetamido-4-azido-2-[(S)-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]carbamoyl]oxy-[(4R)-2-oxidanylidene-1,3-dioxolan-4-yl]methyl]-3,4-dihydro-2H-pyran-6-carboxylate Openeye Name: methyl (2R,3R,4S)-3-acetamido-4-azido-2-[(S)-[4-(tert-butoxycarbonylamino)butyl-[(tert-butoxycarbonylamino)methyl]carbamoyl]oxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]-3,4-dihydro-2H-pyran-6-carboxylate CAS Name: (2R,3R,4S)-3-acetamido-4-azido-2-[(S)-[[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butyl-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]amino]-oxomethoxy]-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]-3,4-dihydro-2H-pyran-6-carboxylic acid methyl ester IUPAC Name: methyl (2R,3R,4S)-3-acetamido-4-azido-2-[(S)-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]carbamoyl]oxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]-3,4-dihydro-2H-pyran-6-carboxylate Traditional Name: (2R,3R,4S)-3-acetamido-4-azido-2-[(S)-[4-(tert-butoxycarbonylamino)butyl-[(tert-butoxycarbonylamino)methyl]carbamoyl]oxy-[(4R)-2-keto-1,3-dioxolan-4-yl]methyl]-3,4-dihydro-2H-pyran-6-carboxylic acid methyl ester Formula: C29H45N7O13 MolecularWeight: 699.7067

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C=C(OC1C(C2COC(=O)O2)OC(=O)N(CCCCNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C)C(=O)OC)N=[N+]=[N-]

Isomeric SMILES

CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@H]2COC(=O)O2)OC(=O)N(CCCCNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C)C(=O)OC)N=[N+]=[N-]

InChI

InChI=1S/C29H45N7O13/c1-16(37)33-20-17(34-35-30)13-18(23(38)43-8)45-22(20)21(19-14-44-27(42)46-19)47-26(41)36(15-32-25(40)49-29(5,6)7)12-10-9-11-31-24(39)48-28(2,3)4/h13,17,19-22H,9-12,14-15H2,1-8H3,(H,31,39)(H,32,40)(H,33,37)/t17-,19+,20+,21+,22+/m0/s1