(2S)-2-[[5-azanyl-1-[(2R,3S,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]carbonylamino]butanedioic acid

Systemtic Name: (2S)-2-[[5-azanyl-1-[(2R,3S,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]carbonylamino]butanedioic acid Openeye Name: (2S)-2-[[5-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]imidazole-4-carbonyl]amino]butanedioic acid CAS Name: (2S)-2-[[[5-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)-2-oxolanyl]-4-imidazolyl]-oxomethyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[5-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazole-4-carbonyl]amino]butanedioic acid Traditional Name: (2S)-2-[[5-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]imidazole-4-carbonyl]amino]succinic acid Formula: C13H19N4O12P MolecularWeight: 454.283321

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=C(N1C2C(C(C(O2)COP(=O)(O)O)O)O)N)C(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=NC(=C(N1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N[C@@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C13H19N4O12P/c14-10-7(11(22)16-4(13(23)24)1-6(18)19)15-3-17(10)12-9(21)8(20)5(29-12)2-28-30(25,26)27/h3-5,8-9,12,20-21H,1-2,14H2,(H,16,22)(H,18,19)(H,23,24)(H2,25,26,27)/t4-,5+,8+,9-,12+/m0/s1