bis(carbon dioxide);2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]butanedioic acid;3-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]propanoic acid;3-[2-(2-carboxyethoxy)ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]propanoic acid;(2S)-2-[3-[(3-carboxyphenyl)methyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]-2-oxopropyl]butanedioic acid;(3S,6S)-3-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonylamino]-6-[[(1S)-1,2-dicarboxyethyl]carbamoyl]-4-oxooctanedioic acid;(2S)-5-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonylamino]-4-oxohexane-1,2,6-tricarboxylic acid

C166H183N25O72 — CID 176519522

About bis(carbon dioxide);2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]butanedioic acid;3-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]propanoic acid;3-[2-(2-carboxyethoxy)ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]propanoic acid;(2S)-2-[3-[(3-carboxyphenyl)methyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]-2-oxopropyl]butanedioic acid;(3S,6S)-3-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonylamino]-6-[[(1S)-1,2-dicarboxyethyl]carbamoyl]-4-oxooctanedioic acid;(2S)-5-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonylamino]-4-oxohexane-1,2,6-tricarboxylic acid

bis(carbon dioxide);2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]butanedioic acid;3-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]propanoic acid;3-[2-(2-carboxyethoxy)ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]propanoic acid;(2S)-2-[3-[(3-carboxyphenyl)methyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]-2-oxopropyl]butanedioic acid;(3S,6S)-3-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonylamino]-6-[[(1S)-1,2-dicarboxyethyl]carbamoyl]-4-oxooctanedioic acid;(2S)-5-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonylamino]-4-oxohexane-1,2,6-tricarboxylic acid (PubChem CID 176519522) has the molecular formula C166H183N25O72 and a molecular weight of 3680.39 g/mol. Its IUPAC name is bis(carbon dioxide);2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]butanedioic acid;3-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]propanoic acid;3-[2-(2-carboxyethoxy)ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]propanoic acid;(2S)-2-[3-[(3-carboxyphenyl)methyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]-2-oxopropyl]butanedioic acid;(3S,6S)-3-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonylamino]-6-[[(1S)-1,2-dicarboxyethyl]carbamoyl]-4-oxooctanedioic acid;(2S)-5-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonylamino]-4-oxohexane-1,2,6-tricarboxylic acid.

Molecular Properties

• Compound Name: bis(carbon dioxide);2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]butanedioic acid;3-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]propanoic acid;3-[2-(2-carboxyethoxy)ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]propanoic acid;(2S)-2-[3-[(3-carboxyphenyl)methyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]-2-oxopropyl]butanedioic acid;(3S,6S)-3-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonylamino]-6-[[(1S)-1,2-dicarboxyethyl]carbamoyl]-4-oxooctanedioic acid;(2S)-5-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonylamino]-4-oxohexane-1,2,6-tricarboxylic acid
• PubChem CID: 176519522
• Molecular Formula: C166H183N25O72
• Molecular Weight: 3680.39 g/mol
• Exact Mass: 3678.14
• IUPAC Name: bis(carbon dioxide);2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]butanedioic acid;3-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]propanoic acid;3-[2-(2-carboxyethoxy)ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]propanoic acid;(2S)-2-[3-[(3-carboxyphenyl)methyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]-2-oxopropyl]butanedioic acid;(3S,6S)-3-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonylamino]-6-[[(1S)-1,2-dicarboxyethyl]carbamoyl]-4-oxooctanedioic acid;(2S)-5-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonylamino]-4-oxohexane-1,2,6-tricarboxylic acid
• SMILES: NC(N)=Nc1ccc(C(=O)Oc2ccc(COC(=O)N(CC(=O)C[C@@H](CC(=O)O)C(=O)O)Cc3cccc(C(=O)O)c3)cc2)cc1.NC(N)=Nc1ccc(C(=O)Oc2ccc(COC(=O)N(CCOCCC(=O)O)CCC(=O)O)cc2)cc1.NC(N)=Nc1ccc(C(=O)Oc2ccc(COC(=O)N(CCOCCOCCC(=O)O)CCC(=O)O)cc2)cc1.NC(N)=Nc1ccc(C(=O)Oc2ccc(COC(=O)N(CCOCCOCCOCCC(=O)O)C(CC(=O)O)C(=O)O)cc2)cc1.NC(N)=Nc1ccc(C(=O)Oc2ccc(COC(=O)NC(CC(=O)O)C(=O)C[C@@H](CC(=O)O)C(=O)O)cc2)cc1.NC(N)=Nc1ccc(C(=O)Oc2ccc(COC(=O)N[C@@H](CC(=O)O)C(=O)C[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)cc2)cc1.O=C=O.O=C=O
• InChI: InChI=1S/C31H30N4O11.C29H31N5O14.C29H36N4O13.C26H32N4O10.C25H26N4O11.C24H28N4O9.2CO2/c32-30(33)34-23-8-6-20(7-9-23)29(43)46-25-10-4-18(5-11-25)17-45-31(44)35(15-19-2-1-3-21(12-19)27(39)40)16-24(36)13-22(28(41)42)14-26(37)38;30-28(31)32-17-5-3-15(4-6-17)27(45)48-18-7-1-14(2-8-18)13-47-29(46)34-19(11-23(38)39)21(35)9-16(10-22(36)37)25(42)33-20(26(43)44)12-24(40)41;30-28(31)32-21-5-3-20(4-6-21)27(40)46-22-7-1-19(2-8-22)18-45-29(41)33(23(26(38)39)17-25(36)37)10-12-43-14-16-44-15-13-42-11-9-24(34)35;27-25(28)29-20-5-3-19(4-6-20)24(35)40-21-7-1-18(2-8-21)17-39-26(36)30(11-9-22(31)32)12-14-38-16-15-37-13-10-23(33)34;26-24(27)28-16-5-3-14(4-6-16)23(37)40-17-7-1-13(2-8-17)12-39-25(38)29-18(11-21(33)34)19(30)9-15(22(35)36)10-20(31)32;25-23(26)27-18-5-3-17(4-6-18)22(33)37-19-7-1-16(2-8-19)15-36-24(34)28(11-9-20(29)30)12-14-35-13-10-21(31)32;2*2-1-3/h1-12,22H,13-17H2,(H,37,38)(H,39,40)(H,41,42)(H4,32,33,34);1-8,16,19-20H,9-13H2,(H,33,42)(H,34,46)(H,36,37)(H,38,39)(H,40,41)(H,43,44)(H4,30,31,32);1-8,23H,9-18H2,(H,34,35)(H,36,37)(H,38,39)(H4,30,31,32);1-8H,9-17H2,(H,31,32)(H,33,34)(H4,27,28,29);1-8,15,18H,9-12H2,(H,29,38)(H,31,32)(H,33,34)(H,35,36)(H4,26,27,28);1-8H,9-15H2,(H,29,30)(H,31,32)(H4,25,26,27);;/t22-;16-,19-,20-;;;15-,18?;;;/m00..0.../s1
• InChIKey: BVPHQUCSYNHGAK-HESGERSESA-N
• XLogP: 7.25
• TPSA: 1577.09 Ų
• H-Bond Donors: 32
• H-Bond Acceptors: 61
• Rotatable Bonds: 99
• Heavy Atoms: 263
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3680.39
LogP ≤ 5	7.25
H-Bond Donors ≤ 5	32
H-Bond Acceptors ≤ 10	61

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(carbon dioxide);2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]butanedioic acid;3-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]propanoic acid;3-[2-(2-carboxyethoxy)ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]propanoic acid;(2S)-2-[3-[(3-carboxyphenyl)methyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]-2-oxopropyl]butanedioic acid;(3S,6S)-3-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonylamino]-6-[[(1S)-1,2-dicarboxyethyl]carbamoyl]-4-oxooctanedioic acid;(2S)-5-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonylamino]-4-oxohexane-1,2,6-tricarboxylic acid?

The IUPAC name of bis(carbon dioxide);2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]butanedioic acid;3-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]propanoic acid;3-[2-(2-carboxyethoxy)ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]propanoic acid;(2S)-2-[3-[(3-carboxyphenyl)methyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]-2-oxopropyl]butanedioic acid;(3S,6S)-3-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonylamino]-6-[[(1S)-1,2-dicarboxyethyl]carbamoyl]-4-oxooctanedioic acid;(2S)-5-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonylamino]-4-oxohexane-1,2,6-tricarboxylic acid (CID 176519522) is bis(carbon dioxide);2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]butanedioic acid;3-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]propanoic acid;3-[2-(2-carboxyethoxy)ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]propanoic acid;(2S)-2-[3-[(3-carboxyphenyl)methyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]-2-oxopropyl]butanedioic acid;(3S,6S)-3-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonylamino]-6-[[(1S)-1,2-dicarboxyethyl]carbamoyl]-4-oxooctanedioic acid;(2S)-5-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonylamino]-4-oxohexane-1,2,6-tricarboxylic acid.

What is the SMILES notation for bis(carbon dioxide);2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]butanedioic acid;3-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]propanoic acid;3-[2-(2-carboxyethoxy)ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]propanoic acid;(2S)-2-[3-[(3-carboxyphenyl)methyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]-2-oxopropyl]butanedioic acid;(3S,6S)-3-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonylamino]-6-[[(1S)-1,2-dicarboxyethyl]carbamoyl]-4-oxooctanedioic acid;(2S)-5-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonylamino]-4-oxohexane-1,2,6-tricarboxylic acid?

The canonical SMILES for bis(carbon dioxide);2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]butanedioic acid;3-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]propanoic acid;3-[2-(2-carboxyethoxy)ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]propanoic acid;(2S)-2-[3-[(3-carboxyphenyl)methyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]-2-oxopropyl]butanedioic acid;(3S,6S)-3-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonylamino]-6-[[(1S)-1,2-dicarboxyethyl]carbamoyl]-4-oxooctanedioic acid;(2S)-5-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonylamino]-4-oxohexane-1,2,6-tricarboxylic acid is NC(N)=Nc1ccc(C(=O)Oc2ccc(COC(=O)N(CC(=O)C[C@@H](CC(=O)O)C(=O)O)Cc3cccc(C(=O)O)c3)cc2)cc1.NC(N)=Nc1ccc(C(=O)Oc2ccc(COC(=O)N(CCOCCC(=O)O)CCC(=O)O)cc2)cc1.NC(N)=Nc1ccc(C(=O)Oc2ccc(COC(=O)N(CCOCCOCCC(=O)O)CCC(=O)O)cc2)cc1.NC(N)=Nc1ccc(C(=O)Oc2ccc(COC(=O)N(CCOCCOCCOCCC(=O)O)C(CC(=O)O)C(=O)O)cc2)cc1.NC(N)=Nc1ccc(C(=O)Oc2ccc(COC(=O)NC(CC(=O)O)C(=O)C[C@@H](CC(=O)O)C(=O)O)cc2)cc1.NC(N)=Nc1ccc(C(=O)Oc2ccc(COC(=O)N[C@@H](CC(=O)O)C(=O)C[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)cc2)cc1.O=C=O.O=C=O.

What is the InChIKey of bis(carbon dioxide);2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]butanedioic acid;3-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]propanoic acid;3-[2-(2-carboxyethoxy)ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]propanoic acid;(2S)-2-[3-[(3-carboxyphenyl)methyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]-2-oxopropyl]butanedioic acid;(3S,6S)-3-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonylamino]-6-[[(1S)-1,2-dicarboxyethyl]carbamoyl]-4-oxooctanedioic acid;(2S)-5-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonylamino]-4-oxohexane-1,2,6-tricarboxylic acid?

The InChIKey is BVPHQUCSYNHGAK-HESGERSESA-N. The full InChI is InChI=1S/C31H30N4O11.C29H31N5O14.C29H36N4O13.C26H32N4O10.C25H26N4O11.C24H28N4O9.2CO2/c32-30(33)34-23-8-6-20(7-9-23)29(43)46-25-10-4-18(5-11-25)17-45-31(44)35(15-19-2-1-3-21(12-19)27(39)40)16-24(36)13-22(28(41)42)14-26(37)38;30-28(31)32-17-5-3-15(4-6-17)27(45)48-18-7-1-14(2-8-18)13-47-29(46)34-19(11-23(38)39)21(35)9-16(10-22(36)37)25(42)33-20(26(43)44)12-24(40)41;30-28(31)32-21-5-3-20(4-6-21)27(40)46-22-7-1-19(2-8-22)18-45-29(41)33(23(26(38)39)17-25(36)37)10-12-43-14-16-44-15-13-42-11-9-24(34)35;27-25(28)29-20-5-3-19(4-6-20)24(35)40-21-7-1-18(2-8-21)17-39-26(36)30(11-9-22(31)32)12-14-38-16-15-37-13-10-23(33)34;26-24(27)28-16-5-3-14(4-6-16)23(37)40-17-7-1-13(2-8-17)12-39-25(38)29-18(11-21(33)34)19(30)9-15(22(35)36)10-20(31)32;25-23(26)27-18-5-3-17(4-6-18)22(33)37-19-7-1-16(2-8-19)15-36-24(34)28(11-9-20(29)30)12-14-35-13-10-21(31)32;2*2-1-3/h1-12,22H,13-17H2,(H,37,38)(H,39,40)(H,41,42)(H4,32,33,34);1-8,16,19-20H,9-13H2,(H,33,42)(H,34,46)(H,36,37)(H,38,39)(H,40,41)(H,43,44)(H4,30,31,32);1-8,23H,9-18H2,(H,34,35)(H,36,37)(H,38,39)(H4,30,31,32);1-8H,9-17H2,(H,31,32)(H,33,34)(H4,27,28,29);1-8,15,18H,9-12H2,(H,29,38)(H,31,32)(H,33,34)(H,35,36)(H4,26,27,28);1-8H,9-15H2,(H,29,30)(H,31,32)(H4,25,26,27);;/t22-;16-,19-,20-;;;15-,18?;;;/m00..0.../s1.

What are the key properties of bis(carbon dioxide);2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]butanedioic acid;3-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]propanoic acid;3-[2-(2-carboxyethoxy)ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]propanoic acid;(2S)-2-[3-[(3-carboxyphenyl)methyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]-2-oxopropyl]butanedioic acid;(3S,6S)-3-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonylamino]-6-[[(1S)-1,2-dicarboxyethyl]carbamoyl]-4-oxooctanedioic acid;(2S)-5-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonylamino]-4-oxohexane-1,2,6-tricarboxylic acid?

bis(carbon dioxide);2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]butanedioic acid;3-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]propanoic acid;3-[2-(2-carboxyethoxy)ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]propanoic acid;(2S)-2-[3-[(3-carboxyphenyl)methyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]-2-oxopropyl]butanedioic acid;(3S,6S)-3-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonylamino]-6-[[(1S)-1,2-dicarboxyethyl]carbamoyl]-4-oxooctanedioic acid;(2S)-5-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonylamino]-4-oxohexane-1,2,6-tricarboxylic acid has a molecular weight of 3680.39 g/mol, XLogP of 7.25, 99 rotatable bonds, 32 hydrogen bond donors, and 61 hydrogen bond acceptors.

Where does this data come from?

All data for bis(carbon dioxide);2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]butanedioic acid;3-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]propanoic acid;3-[2-(2-carboxyethoxy)ethyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]propanoic acid;(2S)-2-[3-[(3-carboxyphenyl)methyl-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonyl]amino]-2-oxopropyl]butanedioic acid;(3S,6S)-3-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonylamino]-6-[[(1S)-1,2-dicarboxyethyl]carbamoyl]-4-oxooctanedioic acid;(2S)-5-[[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]methoxycarbonylamino]-4-oxohexane-1,2,6-tricarboxylic acid is sourced from PubChem (CID 176519522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).