2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-5-oxo-5-(propan-2-ylamino)pentanoic acid;hexakis(carbon dioxide);2-[[1-[carboxymethyl-[2-(dimethylamino)cyclohexyl]amino]-4-methylpentan-2-yl]-ethylamino]acetic acid;2-[[1-[carboxymethyl-[2-(dimethylamino)ethyl]amino]-4-methylpentan-2-yl]-ethylamino]acetic acid;2-[11-(carboxymethyl)-13-(2-methylpropyl)-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-4-yl]acetic acid;2-[2-[methyl-[2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl]amino]ethyl-(2-oxo-2-propan-2-yloxyethyl)amino]acetic acid;2-[4,8,11-tris(carboxymethyl)-6-(2-methylpropyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid

C120H217N21O45 — CID 158973747

IUPAC2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-5-oxo-5-(propan-2-ylamino)pentanoic acid;hexakis(carbon dioxide);2-[[1-[carboxymethyl-[2-(dimethylamino)cyclohexyl]amino]-4-methylpentan-2-yl]-ethylamino]acetic acid;2-[[1-[carboxymethyl-[2-(dimethylamino)ethyl]amino]-4-methylpentan-2-yl]-ethylamino]acetic acid;2-[11-(carboxymethyl)-13-(2-methylpropyl)-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-4-yl]acetic acid;2-[2-[methyl-[2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl]amino]ethyl-(2-oxo-2-propan-2-yloxyethyl)amino]acetic acid;2-[4,8,11-tris(carboxymethyl)-6-(2-methylpropyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
SMILESCC(C)CC1CN(CC(=O)O)CCN(CC(=O)O)CCCN(CC(=O)O)CCN(CC(=O)O)C1.CC(C)CC1CN2CCN(CCCN(CC(=O)O)CC2)CCN(CC(=O)O)C1.CC(C)NC(=O)CCC(C(=O)O)N1CCN(CC(=O)O)CCN(CC(=O)O)CC1.CC(C)OC(=O)CN(C)CCN(C)CCN(CC(=O)O)CC(=O)OC(C)C.CCN(CC(=O)O)C(CC(C)C)CN(CC(=O)O)C1CCCCC1N(C)C.CCN(CC(=O)O)C(CC(C)C)CN(CCN(C)C)CC(=O)O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C22H40N4O8.C20H38N4O4.C20H39N3O4.C18H32N4O7.C18H35N3O6.C16H33N3O4.6CO2/c1-17(2)10-18-11-25(15-21(31)32)8-6-23(13-19(27)28)4-3-5-24(14-20(29)30)7-9-26(12-18)16-22(33)34;1-17(2)12-18-13-23-8-6-21(7-11-24(14-18)16-20(27)28)4-3-5-22(9-10-23)15-19(25)26;1-6-22(13-19(24)25)16(11-15(2)3)12-23(14-20(26)27)18-10-8-7-9-17(18)21(4)5;1-13(2)19-15(23)4-3-14(18(28)29)22-9-7-20(11-16(24)25)5-6-21(8-10-22)12-17(26)27;1-14(2)26-17(24)12-20(6)8-7-19(5)9-10-21(11-16(22)23)13-18(25)27-15(3)4;1-6-19(12-16(22)23)14(9-13(2)3)10-18(11-15(20)21)8-7-17(4)5;6*2-1-3/h17-18H,3-16H2,1-2H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34);17-18H,3-16H2,1-2H3,(H,25,26)(H,27,28);15-18H,6-14H2,1-5H3,(H,24,25)(H,26,27);13-14H,3-12H2,1-2H3,(H,19,23)(H,24,25)(H,26,27)(H,28,29);14-15H,7-13H2,1-6H3,(H,22,23);13-14H,6-12H2,1-5H3,(H,20,21)(H,22,23);;;;;;
InChIKeyJOCYWJYVNGDETN-UHFFFAOYSA-N
MW2674.16 g/mol
LogP-1.66
Rot. Bonds65

About 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-5-oxo-5-(propan-2-ylamino)pentanoic acid;hexakis(carbon dioxide);2-[[1-[carboxymethyl-[2-(dimethylamino)cyclohexyl]amino]-4-methylpentan-2-yl]-ethylamino]acetic acid;2-[[1-[carboxymethyl-[2-(dimethylamino)ethyl]amino]-4-methylpentan-2-yl]-ethylamino]acetic acid;2-[11-(carboxymethyl)-13-(2-methylpropyl)-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-4-yl]acetic acid;2-[2-[methyl-[2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl]amino]ethyl-(2-oxo-2-propan-2-yloxyethyl)amino]acetic acid;2-[4,8,11-tris(carboxymethyl)-6-(2-methylpropyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid

2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-5-oxo-5-(propan-2-ylamino)pentanoic acid;hexakis(carbon dioxide);2-[[1-[carboxymethyl-[2-(dimethylamino)cyclohexyl]amino]-4-methylpentan-2-yl]-ethylamino]acetic acid;2-[[1-[carboxymethyl-[2-(dimethylamino)ethyl]amino]-4-methylpentan-2-yl]-ethylamino]acetic acid;2-[11-(carboxymethyl)-13-(2-methylpropyl)-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-4-yl]acetic acid;2-[2-[methyl-[2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl]amino]ethyl-(2-oxo-2-propan-2-yloxyethyl)amino]acetic acid;2-[4,8,11-tris(carboxymethyl)-6-(2-methylpropyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid (PubChem CID 158973747) has the molecular formula C120H217N21O45 and a molecular weight of 2674.16 g/mol. Its IUPAC name is 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-5-oxo-5-(propan-2-ylamino)pentanoic acid;hexakis(carbon dioxide);2-[[1-[carboxymethyl-[2-(dimethylamino)cyclohexyl]amino]-4-methylpentan-2-yl]-ethylamino]acetic acid;2-[[1-[carboxymethyl-[2-(dimethylamino)ethyl]amino]-4-methylpentan-2-yl]-ethylamino]acetic acid;2-[11-(carboxymethyl)-13-(2-methylpropyl)-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-4-yl]acetic acid;2-[2-[methyl-[2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl]amino]ethyl-(2-oxo-2-propan-2-yloxyethyl)amino]acetic acid;2-[4,8,11-tris(carboxymethyl)-6-(2-methylpropyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-5-oxo-5-(propan-2-ylamino)pentanoic acid;hexakis(carbon dioxide);2-[[1-[carboxymethyl-[2-(dimethylamino)cyclohexyl]amino]-4-methylpentan-2-yl]-ethylamino]acetic acid;2-[[1-[carboxymethyl-[2-(dimethylamino)ethyl]amino]-4-methylpentan-2-yl]-ethylamino]acetic acid;2-[11-(carboxymethyl)-13-(2-methylpropyl)-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-4-yl]acetic acid;2-[2-[methyl-[2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl]amino]ethyl-(2-oxo-2-propan-2-yloxyethyl)amino]acetic acid;2-[4,8,11-tris(carboxymethyl)-6-(2-methylpropyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
PubChem CID158973747
Molecular FormulaC120H217N21O45
Molecular Weight2674.16 g/mol
Exact Mass2672.53
IUPAC Name2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-5-oxo-5-(propan-2-ylamino)pentanoic acid;hexakis(carbon dioxide);2-[[1-[carboxymethyl-[2-(dimethylamino)cyclohexyl]amino]-4-methylpentan-2-yl]-ethylamino]acetic acid;2-[[1-[carboxymethyl-[2-(dimethylamino)ethyl]amino]-4-methylpentan-2-yl]-ethylamino]acetic acid;2-[11-(carboxymethyl)-13-(2-methylpropyl)-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-4-yl]acetic acid;2-[2-[methyl-[2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl]amino]ethyl-(2-oxo-2-propan-2-yloxyethyl)amino]acetic acid;2-[4,8,11-tris(carboxymethyl)-6-(2-methylpropyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
SMILESCC(C)CC1CN(CC(=O)O)CCN(CC(=O)O)CCCN(CC(=O)O)CCN(CC(=O)O)C1.CC(C)CC1CN2CCN(CCCN(CC(=O)O)CC2)CCN(CC(=O)O)C1.CC(C)NC(=O)CCC(C(=O)O)N1CCN(CC(=O)O)CCN(CC(=O)O)CC1.CC(C)OC(=O)CN(C)CCN(C)CCN(CC(=O)O)CC(=O)OC(C)C.CCN(CC(=O)O)C(CC(C)C)CN(CC(=O)O)C1CCCCC1N(C)C.CCN(CC(=O)O)C(CC(C)C)CN(CCN(C)C)CC(=O)O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C22H40N4O8.C20H38N4O4.C20H39N3O4.C18H32N4O7.C18H35N3O6.C16H33N3O4.6CO2/c1-17(2)10-18-11-25(15-21(31)32)8-6-23(13-19(27)28)4-3-5-24(14-20(29)30)7-9-26(12-18)16-22(33)34;1-17(2)12-18-13-23-8-6-21(7-11-24(14-18)16-20(27)28)4-3-5-22(9-10-23)15-19(25)26;1-6-22(13-19(24)25)16(11-15(2)3)12-23(14-20(26)27)18-10-8-7-9-17(18)21(4)5;1-13(2)19-15(23)4-3-14(18(28)29)22-9-7-20(11-16(24)25)5-6-21(8-10-22)12-17(26)27;1-14(2)26-17(24)12-20(6)8-7-19(5)9-10-21(11-16(22)23)13-18(25)27-15(3)4;1-6-19(12-16(22)23)14(9-13(2)3)10-18(11-15(20)21)8-7-17(4)5;6*2-1-3/h17-18H,3-16H2,1-2H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34);17-18H,3-16H2,1-2H3,(H,25,26)(H,27,28);15-18H,6-14H2,1-5H3,(H,24,25)(H,26,27);13-14H,3-12H2,1-2H3,(H,19,23)(H,24,25)(H,26,27)(H,28,29);14-15H,7-13H2,1-6H3,(H,22,23);13-14H,6-12H2,1-5H3,(H,20,21)(H,22,23);;;;;;
InChIKeyJOCYWJYVNGDETN-UHFFFAOYSA-N
XLogP-1.66
TPSA873.54 Ų
H-Bond Donors15
H-Bond Acceptors51
Rotatable Bonds65
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002674.16
LogP ≤ 5-1.66
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1051

Analyze 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-5-oxo-5-(propan-2-ylamino)pentanoic acid;hexakis(carbon dioxide);2-[[1-[carboxymethyl-[2-(dimethylamino)cyclohexyl]amino]-4-methylpentan-2-yl]-ethylamino]acetic acid;2-[[1-[carboxymethyl-[2-(dimethylamino)ethyl]amino]-4-methylpentan-2-yl]-ethylamino]acetic acid;2-[11-(carboxymethyl)-13-(2-methylpropyl)-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-4-yl]acetic acid;2-[2-[methyl-[2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl]amino]ethyl-(2-oxo-2-propan-2-yloxyethyl)amino]acetic acid;2-[4,8,11-tris(carboxymethyl)-6-(2-methylpropyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-5-oxo-5-(propan-2-ylamino)pentanoic acid;hexakis(carbon dioxide);2-[[1-[carboxymethyl-[2-(dimethylamino)cyclohexyl]amino]-4-methylpentan-2-yl]-ethylamino]acetic acid;2-[[1-[carboxymethyl-[2-(dimethylamino)ethyl]amino]-4-methylpentan-2-yl]-ethylamino]acetic acid;2-[11-(carboxymethyl)-13-(2-methylpropyl)-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-4-yl]acetic acid;2-[2-[methyl-[2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl]amino]ethyl-(2-oxo-2-propan-2-yloxyethyl)amino]acetic acid;2-[4,8,11-tris(carboxymethyl)-6-(2-methylpropyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid?
The IUPAC name of 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-5-oxo-5-(propan-2-ylamino)pentanoic acid;hexakis(carbon dioxide);2-[[1-[carboxymethyl-[2-(dimethylamino)cyclohexyl]amino]-4-methylpentan-2-yl]-ethylamino]acetic acid;2-[[1-[carboxymethyl-[2-(dimethylamino)ethyl]amino]-4-methylpentan-2-yl]-ethylamino]acetic acid;2-[11-(carboxymethyl)-13-(2-methylpropyl)-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-4-yl]acetic acid;2-[2-[methyl-[2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl]amino]ethyl-(2-oxo-2-propan-2-yloxyethyl)amino]acetic acid;2-[4,8,11-tris(carboxymethyl)-6-(2-methylpropyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid (CID 158973747) is 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-5-oxo-5-(propan-2-ylamino)pentanoic acid;hexakis(carbon dioxide);2-[[1-[carboxymethyl-[2-(dimethylamino)cyclohexyl]amino]-4-methylpentan-2-yl]-ethylamino]acetic acid;2-[[1-[carboxymethyl-[2-(dimethylamino)ethyl]amino]-4-methylpentan-2-yl]-ethylamino]acetic acid;2-[11-(carboxymethyl)-13-(2-methylpropyl)-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-4-yl]acetic acid;2-[2-[methyl-[2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl]amino]ethyl-(2-oxo-2-propan-2-yloxyethyl)amino]acetic acid;2-[4,8,11-tris(carboxymethyl)-6-(2-methylpropyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid.
What is the SMILES notation for 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-5-oxo-5-(propan-2-ylamino)pentanoic acid;hexakis(carbon dioxide);2-[[1-[carboxymethyl-[2-(dimethylamino)cyclohexyl]amino]-4-methylpentan-2-yl]-ethylamino]acetic acid;2-[[1-[carboxymethyl-[2-(dimethylamino)ethyl]amino]-4-methylpentan-2-yl]-ethylamino]acetic acid;2-[11-(carboxymethyl)-13-(2-methylpropyl)-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-4-yl]acetic acid;2-[2-[methyl-[2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl]amino]ethyl-(2-oxo-2-propan-2-yloxyethyl)amino]acetic acid;2-[4,8,11-tris(carboxymethyl)-6-(2-methylpropyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid?
The canonical SMILES for 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-5-oxo-5-(propan-2-ylamino)pentanoic acid;hexakis(carbon dioxide);2-[[1-[carboxymethyl-[2-(dimethylamino)cyclohexyl]amino]-4-methylpentan-2-yl]-ethylamino]acetic acid;2-[[1-[carboxymethyl-[2-(dimethylamino)ethyl]amino]-4-methylpentan-2-yl]-ethylamino]acetic acid;2-[11-(carboxymethyl)-13-(2-methylpropyl)-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-4-yl]acetic acid;2-[2-[methyl-[2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl]amino]ethyl-(2-oxo-2-propan-2-yloxyethyl)amino]acetic acid;2-[4,8,11-tris(carboxymethyl)-6-(2-methylpropyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid is CC(C)CC1CN(CC(=O)O)CCN(CC(=O)O)CCCN(CC(=O)O)CCN(CC(=O)O)C1.CC(C)CC1CN2CCN(CCCN(CC(=O)O)CC2)CCN(CC(=O)O)C1.CC(C)NC(=O)CCC(C(=O)O)N1CCN(CC(=O)O)CCN(CC(=O)O)CC1.CC(C)OC(=O)CN(C)CCN(C)CCN(CC(=O)O)CC(=O)OC(C)C.CCN(CC(=O)O)C(CC(C)C)CN(CC(=O)O)C1CCCCC1N(C)C.CCN(CC(=O)O)C(CC(C)C)CN(CCN(C)C)CC(=O)O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.
What is the InChIKey of 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-5-oxo-5-(propan-2-ylamino)pentanoic acid;hexakis(carbon dioxide);2-[[1-[carboxymethyl-[2-(dimethylamino)cyclohexyl]amino]-4-methylpentan-2-yl]-ethylamino]acetic acid;2-[[1-[carboxymethyl-[2-(dimethylamino)ethyl]amino]-4-methylpentan-2-yl]-ethylamino]acetic acid;2-[11-(carboxymethyl)-13-(2-methylpropyl)-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-4-yl]acetic acid;2-[2-[methyl-[2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl]amino]ethyl-(2-oxo-2-propan-2-yloxyethyl)amino]acetic acid;2-[4,8,11-tris(carboxymethyl)-6-(2-methylpropyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid?
The InChIKey is JOCYWJYVNGDETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N4O8.C20H38N4O4.C20H39N3O4.C18H32N4O7.C18H35N3O6.C16H33N3O4.6CO2/c1-17(2)10-18-11-25(15-21(31)32)8-6-23(13-19(27)28)4-3-5-24(14-20(29)30)7-9-26(12-18)16-22(33)34;1-17(2)12-18-13-23-8-6-21(7-11-24(14-18)16-20(27)28)4-3-5-22(9-10-23)15-19(25)26;1-6-22(13-19(24)25)16(11-15(2)3)12-23(14-20(26)27)18-10-8-7-9-17(18)21(4)5;1-13(2)19-15(23)4-3-14(18(28)29)22-9-7-20(11-16(24)25)5-6-21(8-10-22)12-17(26)27;1-14(2)26-17(24)12-20(6)8-7-19(5)9-10-21(11-16(22)23)13-18(25)27-15(3)4;1-6-19(12-16(22)23)14(9-13(2)3)10-18(11-15(20)21)8-7-17(4)5;6*2-1-3/h17-18H,3-16H2,1-2H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34);17-18H,3-16H2,1-2H3,(H,25,26)(H,27,28);15-18H,6-14H2,1-5H3,(H,24,25)(H,26,27);13-14H,3-12H2,1-2H3,(H,19,23)(H,24,25)(H,26,27)(H,28,29);14-15H,7-13H2,1-6H3,(H,22,23);13-14H,6-12H2,1-5H3,(H,20,21)(H,22,23);;;;;;.
What are the key properties of 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-5-oxo-5-(propan-2-ylamino)pentanoic acid;hexakis(carbon dioxide);2-[[1-[carboxymethyl-[2-(dimethylamino)cyclohexyl]amino]-4-methylpentan-2-yl]-ethylamino]acetic acid;2-[[1-[carboxymethyl-[2-(dimethylamino)ethyl]amino]-4-methylpentan-2-yl]-ethylamino]acetic acid;2-[11-(carboxymethyl)-13-(2-methylpropyl)-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-4-yl]acetic acid;2-[2-[methyl-[2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl]amino]ethyl-(2-oxo-2-propan-2-yloxyethyl)amino]acetic acid;2-[4,8,11-tris(carboxymethyl)-6-(2-methylpropyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid?
2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-5-oxo-5-(propan-2-ylamino)pentanoic acid;hexakis(carbon dioxide);2-[[1-[carboxymethyl-[2-(dimethylamino)cyclohexyl]amino]-4-methylpentan-2-yl]-ethylamino]acetic acid;2-[[1-[carboxymethyl-[2-(dimethylamino)ethyl]amino]-4-methylpentan-2-yl]-ethylamino]acetic acid;2-[11-(carboxymethyl)-13-(2-methylpropyl)-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-4-yl]acetic acid;2-[2-[methyl-[2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl]amino]ethyl-(2-oxo-2-propan-2-yloxyethyl)amino]acetic acid;2-[4,8,11-tris(carboxymethyl)-6-(2-methylpropyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid has a molecular weight of 2674.16 g/mol, XLogP of -1.66, 65 rotatable bonds, 15 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-5-oxo-5-(propan-2-ylamino)pentanoic acid;hexakis(carbon dioxide);2-[[1-[carboxymethyl-[2-(dimethylamino)cyclohexyl]amino]-4-methylpentan-2-yl]-ethylamino]acetic acid;2-[[1-[carboxymethyl-[2-(dimethylamino)ethyl]amino]-4-methylpentan-2-yl]-ethylamino]acetic acid;2-[11-(carboxymethyl)-13-(2-methylpropyl)-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-4-yl]acetic acid;2-[2-[methyl-[2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl]amino]ethyl-(2-oxo-2-propan-2-yloxyethyl)amino]acetic acid;2-[4,8,11-tris(carboxymethyl)-6-(2-methylpropyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid is sourced from PubChem (CID 158973747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).