(2S)-2-[[(4S)-5-oxidanyl-5-oxidanylidene-4-[[(2S)-2-[oxidanyl-[(2R,3S,4S)-2,3,4-tris(oxidanyl)-5-[(5S)-8-oxidanyl-2,4-bis(oxidanylidene)-5-(2-oxidanylidenepropyl)-1,5-dihydropyrimido[4,5-b]quinolin-10-yl]pentoxy]phosphoryl]oxypropanoyl]amino]pentanoyl]amino]pentanedioic acid

Systemtic Name: (2S)-2-[[(4S)-5-oxidanyl-5-oxidanylidene-4-[[(2S)-2-[oxidanyl-[(2R,3S,4S)-2,3,4-tris(oxidanyl)-5-[(5S)-8-oxidanyl-2,4-bis(oxidanylidene)-5-(2-oxidanylidenepropyl)-1,5-dihydropyrimido[4,5-b]quinolin-10-yl]pentoxy]phosphoryl]oxypropanoyl]amino]pentanoyl]amino]pentanedioic acid Openeye Name: (2S)-2-[[(4S)-4-[[(2S)-2-[[(2R,3S,4S)-5-[(5S)-5-acetonyl-8-hydroxy-2,4-dioxo-1,5-dihydropyrimido[4,5-b]quinolin-10-yl]-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl]oxypropanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[(4S)-5-hydroxy-4-[[(2S)-2-[hydroxy-[(2R,3S,4S)-2,3,4-trihydroxy-5-[(5S)-8-hydroxy-2,4-dioxo-5-(2-oxopropyl)-1,5-dihydropyrimido[4,5-b]quinolin-10-yl]pentoxy]phosphoryl]oxy-1-oxopropyl]amino]-1,5-dioxopentyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[(4S)-5-hydroxy-4-[[(2S)-2-[hydroxy-[(2R,3S,4S)-2,3,4-trihydroxy-5-[(5S)-8-hydroxy-2,4-dioxo-5-(2-oxopropyl)-1,5-dihydropyrimido[4,5-b]quinolin-10-yl]pentoxy]phosphoryl]oxypropanoyl]amino]-5-oxopentanoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[(4S)-4-[[(2S)-2-[[(2R,3S,4S)-5-[(5S)-5-acetonyl-8-hydroxy-2,4-diketo-1,5-dihydropyrimido[4,5-b]quinolin-10-yl]-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl]oxypropanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]glutaric acid Formula: C32H42N5O19P MolecularWeight: 831.671741

Click to see the large picture

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(CN1C2=C(C=CC(=C2)O)C(C3=C1NC(=O)NC3=O)CC(=O)C)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)OC[C@H]([C@H]([C@H](CN1C2=C(C=CC(=C2)O)[C@@H](C3=C1NC(=O)NC3=O)CC(=O)C)O)O)O

InChI

InChI=1S/C32H42N5O19P/c1-13(38)9-17-16-4-3-15(39)10-20(16)37(27-25(17)29(47)36-32(52)35-27)11-21(40)26(45)22(41)12-55-57(53,54)56-14(2)28(46)34-19(31(50)51)5-7-23(42)33-18(30(48)49)6-8-24(43)44/h3-4,10,14,17-19,21-22,26,39-41,45H,5-9,11-12H2,1-2H3,(H,33,42)(H,34,46)(H,43,44)(H,48,49)(H,50,51)(H,53,54)(H2,35,36,47,52)/t14-,17-,18-,19-,21-,22+,26-/m0/s1