(2S)-2-[[2,4,4,6,6-pentakis[[(2S)-1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-trien-2-yl]amino]pentanedioic acid

Systemtic Name: (2S)-2-[[2,4,4,6,6-pentakis[[(2S)-1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-trien-2-yl]amino]pentanedioic acid Openeye Name: (2S)-2-[[2,4,4,6,6-pentakis[[(1S)-1-carboxy-4-hydroxy-4-oxo-butyl]amino]-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-trien-2-yl]amino]pentanedioic acid CAS Name: (2S)-2-[[2,4,4,6,6-pentakis[[(2S)-1,5-dihydroxy-1,5-dioxopentan-2-yl]amino]-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-trien-2-yl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[2,4,4,6,6-pentakis[[(2S)-1,5-dihydroxy-1,5-dioxopentan-2-yl]amino]-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-trien-2-yl]amino]pentanedioic acid Traditional Name: (2S)-2-[[2,4,4,6,6-pentakis[[(1S)-1-carboxy-4-hydroxy-4-keto-butyl]amino]-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-trien-2-yl]amino]glutaric acid Formula: C30H48N9O24P3 MolecularWeight: 1011.669303

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)O)C(C(=O)O)NP1(=NP(=NP(=N1)(NC(CCC(=O)O)C(=O)O)NC(CCC(=O)O)C(=O)O)(NC(CCC(=O)O)C(=O)O)NC(CCC(=O)O)C(=O)O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C(CC(=O)O)[C@@H](C(=O)O)NP1(=NP(=NP(=N1)(N[C@@H](CCC(=O)O)C(=O)O)N[C@@H](CCC(=O)O)C(=O)O)(N[C@@H](CCC(=O)O)C(=O)O)N[C@@H](CCC(=O)O)C(=O)O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C30H48N9O24P3/c40-19(41)7-1-13(25(52)53)31-64(32-14(26(54)55)2-8-20(42)43)37-65(33-15(27(56)57)3-9-21(44)45,34-16(28(58)59)4-10-22(46)47)39-66(38-64,35-17(29(60)61)5-11-23(48)49)36-18(30(62)63)6-12-24(50)51/h13-18,31-36H,1-12H2,(H,40,41)(H,42,43)(H,44,45)(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/t13-,14-,15-,16-,17-,18-/m0/s1