(2S)-2-[[(4S)-5-oxidanidyl-4-[[(2S)-2-[oxidanidyl-[2,3,4-tris(oxidanyl)-5-[8-oxidanyl-2,4-bis(oxidanylidene)-1,5,5a,6,7,8,9,9a-octahydropyrimido[4,5-b]quinolin-10-yl]pentoxy]phosphoryl]oxypropanoyl]amino]-5-oxidanylidene-pentanoyl]amino]pentanedioate

Systemtic Name: (2S)-2-[[(4S)-5-oxidanidyl-4-[[(2S)-2-[oxidanidyl-[2,3,4-tris(oxidanyl)-5-[8-oxidanyl-2,4-bis(oxidanylidene)-1,5,5a,6,7,8,9,9a-octahydropyrimido[4,5-b]quinolin-10-yl]pentoxy]phosphoryl]oxypropanoyl]amino]-5-oxidanylidene-pentanoyl]amino]pentanedioate Openeye Name: (2S)-2-[[(4S)-5-oxido-4-[[(2S)-2-[oxido-[2,3,4-trihydroxy-5-(8-hydroxy-2,4-dioxo-1,5,5a,6,7,8,9,9a-octahydropyrimido[4,5-b]quinolin-10-yl)pentoxy]phosphoryl]oxypropanoyl]amino]-5-oxo-pentanoyl]amino]pentanedioate CAS Name: (2S)-2-[[(4S)-5-oxido-4-[[(2S)-2-[oxido-[2,3,4-trihydroxy-5-(8-hydroxy-2,4-dioxo-1,5,5a,6,7,8,9,9a-octahydropyrimido[4,5-b]quinolin-10-yl)pentoxy]phosphoryl]oxy-1-oxopropyl]amino]-1,5-dioxopentyl]amino]pentanedioate IUPAC Name: (2S)-2-[[(4S)-5-oxido-4-[[(2S)-2-[oxido-[2,3,4-trihydroxy-5-(8-hydroxy-2,4-dioxo-1,5,5a,6,7,8,9,9a-octahydropyrimido[4,5-b]quinolin-10-yl)pentoxy]phosphoryl]oxypropanoyl]amino]-5-oxopentanoyl]amino]pentanedioate Traditional Name: (2S)-2-[[(4S)-5-keto-5-oxido-4-[[(2S)-2-[oxido-[2,3,4-trihydroxy-5-(8-hydroxy-2,4-diketo-1,5,5a,6,7,8,9,9a-octahydropyrimido[4,5-b]quinolin-10-yl)pentoxy]phosphoryl]oxypropanoyl]amino]pentanoyl]amino]glutarate Formula: C29H40N5O18P-4 MolecularWeight: 777.624361

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCC(=O)NC(CCC(=O)[O-])C(=O)[O-])C(=O)[O-])OP(=O)([O-])OCC(C(C(CN1C2CC(CCC2CC3=C1NC(=O)NC3=O)O)O)O)O

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])OP(=O)([O-])OCC(C(C(CN1C2CC(CCC2CC3=C1NC(=O)NC3=O)O)O)O)O

InChI

InChI=1S/C29H44N5O18P/c1-12(25(42)31-17(28(46)47)4-6-21(38)30-16(27(44)45)5-7-22(39)40)52-53(49,50)51-11-20(37)23(41)19(36)10-34-18-9-14(35)3-2-13(18)8-15-24(34)32-29(48)33-26(15)43/h12-14,16-20,23,35-37,41H,2-11H2,1H3,(H,30,38)(H,31,42)(H,39,40)(H,44,45)(H,46,47)(H,49,50)(H2,32,33,43,48)/p-4/t12-,13?,14?,16-,17-,18?,19?,20?,23?/m0/s1