2-[bis[2-(2-aminoethoxy)ethyl]amino]acetic acid;2-[bis[2-(2-aminoethoxy)ethyl]amino]-N-[2-[2-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethyl]acetamide;1-[bis[2-(2-aminoethoxy)ethyl]amino]propan-2-one;2-[bis[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]acetic acid;tert-butyl N-[2-[2-[[5-[2-[2-[2-[[2-[bis[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]-2-oxopentyl]-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethyl]carbamate;4-[2-[2-[carboxymethyl-[2-[2-(3-carboxypropanoylamino)ethoxy]ethyl]amino]ethoxy]ethylamino]-4-oxobutanoic acid;4-[2-[2-[2-[2-(3-carboxypropanoylamino)ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethylamino]-4-oxobutanoic acid

C183H360N34O67 — CID 158869627

IUPAC2-[bis[2-(2-aminoethoxy)ethyl]amino]acetic acid;2-[bis[2-(2-aminoethoxy)ethyl]amino]-N-[2-[2-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethyl]acetamide;1-[bis[2-(2-aminoethoxy)ethyl]amino]propan-2-one;2-[bis[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]acetic acid;tert-butyl N-[2-[2-[[5-[2-[2-[2-[[2-[bis[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]-2-oxopentyl]-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethyl]carbamate;4-[2-[2-[carboxymethyl-[2-[2-(3-carboxypropanoylamino)ethoxy]ethyl]amino]ethoxy]ethylamino]-4-oxobutanoic acid;4-[2-[2-[2-[2-(3-carboxypropanoylamino)ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethylamino]-4-oxobutanoic acid
SMILESCC(=O)CN(CCOCCCC(=O)CN(CCOCCN)CCOCCN)CCOCCNC(=O)CN(CCOCCN)CCOCCN.CC(=O)CN(CCOCCCC(=O)CN(CCOCCNC(=O)OC(C)(C)C)CCOCCNC(=O)OC(C)(C)C)CCOCCNC(=O)CN(CCOCCNC(=O)OC(C)(C)C)CCOCCNC(=O)OC(C)(C)C.CC(=O)CN(CCOCCN)CCOCCN.CC(=O)CN(CCOCCNC(=O)CCC(=O)O)CCOCCNC(=O)CCC(=O)O.CC(=O)CN(CCOCCNC(=O)OC(C)(C)C)CCOCCNC(=O)OC(C)(C)C.CC(C)(C)OC(=O)NCCOCCN(CCOCCNC(=O)OC(C)(C)C)CC(=O)O.NCCOCCN(CCOCCN)CC(=O)O.O=C(O)CCC(=O)NCCOCCN(CCOCCNC(=O)CCC(=O)O)CC(=O)O
InChIInChI=1S/C52H100N8O17.C32H68N8O9.C21H41N3O7.C20H39N3O8.C19H33N3O9.C18H31N3O10.C11H25N3O3.C10H23N3O4/c1-42(61)39-58(21-33-68-27-14-15-43(62)40-59(23-35-70-29-17-54-45(64)74-49(2,3)4)24-36-71-30-18-55-46(65)75-50(5,6)7)22-34-69-28-16-53-44(63)41-60(25-37-72-31-19-56-47(66)76-51(8,9)10)26-38-73-32-20-57-48(67)77-52(11,12)13;1-30(41)27-38(9-21-44-15-2-3-31(42)28-39(11-22-45-16-4-33)12-23-46-17-5-34)10-26-49-20-8-37-32(43)29-40(13-24-47-18-6-35)14-25-48-19-7-36;1-17(25)16-24(10-14-28-12-8-22-18(26)30-20(2,3)4)11-15-29-13-9-23-19(27)31-21(5,6)7;1-19(2,3)30-17(26)21-7-11-28-13-9-23(15-16(24)25)10-14-29-12-8-22-18(27)31-20(4,5)6;1-15(23)14-22(8-12-30-10-6-20-16(24)2-4-18(26)27)9-13-31-11-7-21-17(25)3-5-19(28)29;22-14(1-3-16(24)25)19-5-9-30-11-7-21(13-18(28)29)8-12-31-10-6-20-15(23)2-4-17(26)27;1-11(15)10-14(4-8-16-6-2-12)5-9-17-7-3-13;11-1-5-16-7-3-13(9-10(14)15)4-8-17-6-2-12/h14-41H2,1-13H3,(H,53,63)(H,54,64)(H,55,65)(H,56,66)(H,57,67);2-29,33-36H2,1H3,(H,37,43);8-16H2,1-7H3,(H,22,26)(H,23,27);7-15H2,1-6H3,(H,21,26)(H,22,27)(H,24,25);2-14H2,1H3,(H,20,24)(H,21,25)(H,26,27)(H,28,29);1-13H2,(H,19,22)(H,20,23)(H,24,25)(H,26,27)(H,28,29);2-10,12-13H2,1H3;1-9,11-12H2,(H,14,15)
InChIKeyJBRIPWNMRRCKRS-UHFFFAOYSA-N
MW4109.06 g/mol
LogP-2.17
Rot. Bonds174

About 2-[bis[2-(2-aminoethoxy)ethyl]amino]acetic acid;2-[bis[2-(2-aminoethoxy)ethyl]amino]-N-[2-[2-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethyl]acetamide;1-[bis[2-(2-aminoethoxy)ethyl]amino]propan-2-one;2-[bis[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]acetic acid;tert-butyl N-[2-[2-[[5-[2-[2-[2-[[2-[bis[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]-2-oxopentyl]-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethyl]carbamate;4-[2-[2-[carboxymethyl-[2-[2-(3-carboxypropanoylamino)ethoxy]ethyl]amino]ethoxy]ethylamino]-4-oxobutanoic acid;4-[2-[2-[2-[2-(3-carboxypropanoylamino)ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethylamino]-4-oxobutanoic acid

2-[bis[2-(2-aminoethoxy)ethyl]amino]acetic acid;2-[bis[2-(2-aminoethoxy)ethyl]amino]-N-[2-[2-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethyl]acetamide;1-[bis[2-(2-aminoethoxy)ethyl]amino]propan-2-one;2-[bis[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]acetic acid;tert-butyl N-[2-[2-[[5-[2-[2-[2-[[2-[bis[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]-2-oxopentyl]-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethyl]carbamate;4-[2-[2-[carboxymethyl-[2-[2-(3-carboxypropanoylamino)ethoxy]ethyl]amino]ethoxy]ethylamino]-4-oxobutanoic acid;4-[2-[2-[2-[2-(3-carboxypropanoylamino)ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethylamino]-4-oxobutanoic acid (PubChem CID 158869627) has the molecular formula C183H360N34O67 and a molecular weight of 4109.06 g/mol. Its IUPAC name is 2-[bis[2-(2-aminoethoxy)ethyl]amino]acetic acid;2-[bis[2-(2-aminoethoxy)ethyl]amino]-N-[2-[2-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethyl]acetamide;1-[bis[2-(2-aminoethoxy)ethyl]amino]propan-2-one;2-[bis[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]acetic acid;tert-butyl N-[2-[2-[[5-[2-[2-[2-[[2-[bis[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]-2-oxopentyl]-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethyl]carbamate;4-[2-[2-[carboxymethyl-[2-[2-(3-carboxypropanoylamino)ethoxy]ethyl]amino]ethoxy]ethylamino]-4-oxobutanoic acid;4-[2-[2-[2-[2-(3-carboxypropanoylamino)ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name2-[bis[2-(2-aminoethoxy)ethyl]amino]acetic acid;2-[bis[2-(2-aminoethoxy)ethyl]amino]-N-[2-[2-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethyl]acetamide;1-[bis[2-(2-aminoethoxy)ethyl]amino]propan-2-one;2-[bis[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]acetic acid;tert-butyl N-[2-[2-[[5-[2-[2-[2-[[2-[bis[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]-2-oxopentyl]-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethyl]carbamate;4-[2-[2-[carboxymethyl-[2-[2-(3-carboxypropanoylamino)ethoxy]ethyl]amino]ethoxy]ethylamino]-4-oxobutanoic acid;4-[2-[2-[2-[2-(3-carboxypropanoylamino)ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethylamino]-4-oxobutanoic acid
PubChem CID158869627
Molecular FormulaC183H360N34O67
Molecular Weight4109.06 g/mol
Exact Mass4106.58
IUPAC Name2-[bis[2-(2-aminoethoxy)ethyl]amino]acetic acid;2-[bis[2-(2-aminoethoxy)ethyl]amino]-N-[2-[2-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethyl]acetamide;1-[bis[2-(2-aminoethoxy)ethyl]amino]propan-2-one;2-[bis[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]acetic acid;tert-butyl N-[2-[2-[[5-[2-[2-[2-[[2-[bis[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]-2-oxopentyl]-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethyl]carbamate;4-[2-[2-[carboxymethyl-[2-[2-(3-carboxypropanoylamino)ethoxy]ethyl]amino]ethoxy]ethylamino]-4-oxobutanoic acid;4-[2-[2-[2-[2-(3-carboxypropanoylamino)ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethylamino]-4-oxobutanoic acid
SMILESCC(=O)CN(CCOCCCC(=O)CN(CCOCCN)CCOCCN)CCOCCNC(=O)CN(CCOCCN)CCOCCN.CC(=O)CN(CCOCCCC(=O)CN(CCOCCNC(=O)OC(C)(C)C)CCOCCNC(=O)OC(C)(C)C)CCOCCNC(=O)CN(CCOCCNC(=O)OC(C)(C)C)CCOCCNC(=O)OC(C)(C)C.CC(=O)CN(CCOCCN)CCOCCN.CC(=O)CN(CCOCCNC(=O)CCC(=O)O)CCOCCNC(=O)CCC(=O)O.CC(=O)CN(CCOCCNC(=O)OC(C)(C)C)CCOCCNC(=O)OC(C)(C)C.CC(C)(C)OC(=O)NCCOCCN(CCOCCNC(=O)OC(C)(C)C)CC(=O)O.NCCOCCN(CCOCCN)CC(=O)O.O=C(O)CCC(=O)NCCOCCN(CCOCCNC(=O)CCC(=O)O)CC(=O)O
InChIInChI=1S/C52H100N8O17.C32H68N8O9.C21H41N3O7.C20H39N3O8.C19H33N3O9.C18H31N3O10.C11H25N3O3.C10H23N3O4/c1-42(61)39-58(21-33-68-27-14-15-43(62)40-59(23-35-70-29-17-54-45(64)74-49(2,3)4)24-36-71-30-18-55-46(65)75-50(5,6)7)22-34-69-28-16-53-44(63)41-60(25-37-72-31-19-56-47(66)76-51(8,9)10)26-38-73-32-20-57-48(67)77-52(11,12)13;1-30(41)27-38(9-21-44-15-2-3-31(42)28-39(11-22-45-16-4-33)12-23-46-17-5-34)10-26-49-20-8-37-32(43)29-40(13-24-47-18-6-35)14-25-48-19-7-36;1-17(25)16-24(10-14-28-12-8-22-18(26)30-20(2,3)4)11-15-29-13-9-23-19(27)31-21(5,6)7;1-19(2,3)30-17(26)21-7-11-28-13-9-23(15-16(24)25)10-14-29-12-8-22-18(27)31-20(4,5)6;1-15(23)14-22(8-12-30-10-6-20-16(24)2-4-18(26)27)9-13-31-11-7-21-17(25)3-5-19(28)29;22-14(1-3-16(24)25)19-5-9-30-11-7-21(13-18(28)29)8-12-31-10-6-20-15(23)2-4-17(26)27;1-11(15)10-14(4-8-16-6-2-12)5-9-17-7-3-13;11-1-5-16-7-3-13(9-10(14)15)4-8-17-6-2-12/h14-41H2,1-13H3,(H,53,63)(H,54,64)(H,55,65)(H,56,66)(H,57,67);2-29,33-36H2,1H3,(H,37,43);8-16H2,1-7H3,(H,22,26)(H,23,27);7-15H2,1-6H3,(H,21,26)(H,22,27)(H,24,25);2-14H2,1H3,(H,20,24)(H,21,25)(H,26,27)(H,28,29);1-13H2,(H,19,22)(H,20,23)(H,24,25)(H,26,27)(H,28,29);2-10,12-13H2,1H3;1-9,11-12H2,(H,14,15)
InChIKeyJBRIPWNMRRCKRS-UHFFFAOYSA-N
XLogP-2.17
TPSA1330.39 Ų
H-Bond Donors29
H-Bond Acceptors80
Rotatable Bonds174
Heavy Atoms284
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004109.06
LogP ≤ 5-2.17
H-Bond Donors ≤ 529
H-Bond Acceptors ≤ 1080

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[bis[2-(2-aminoethoxy)ethyl]amino]acetic acid;2-[bis[2-(2-aminoethoxy)ethyl]amino]-N-[2-[2-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethyl]acetamide;1-[bis[2-(2-aminoethoxy)ethyl]amino]propan-2-one;2-[bis[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]acetic acid;tert-butyl N-[2-[2-[[5-[2-[2-[2-[[2-[bis[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]-2-oxopentyl]-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethyl]carbamate;4-[2-[2-[carboxymethyl-[2-[2-(3-carboxypropanoylamino)ethoxy]ethyl]amino]ethoxy]ethylamino]-4-oxobutanoic acid;4-[2-[2-[2-[2-(3-carboxypropanoylamino)ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethylamino]-4-oxobutanoic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]-N-[2-[2-[2-[2-[[2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[2-[2-[2-[2-[[2-[bis[2-[2-[[2-[2-[2-[[2-[bis[2-(2-aminoethoxy)ethyl]amino]acetyl]amino]ethoxy]ethyl-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-(3-hydroxy-2-oxopropyl)amino]ethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethyl]acetamide
CID 159933674
2-[carboxymethyl-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]amino]acetic acid
CID 152544554
4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoic acid
CID 167337700
tert-butyl N-[2-[2-[2-(3-aminopropanoylamino)ethoxy]ethoxy]ethyl]carbamate
CID 166726831
2-[2-[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid
CID 87434108
benzyl N-[2-[2-[2-[bis[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl]carbamate
CID 10941903
tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 166851289
2-[2-[carboxymethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]ethyl-[2-[carboxymethyl-(5-methoxy-2-oxopentyl)amino]ethyl]amino]acetic acid
CID 162305433
tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
CID 159460097
tert-butyl N-[3-[[2-[3-[3-aminopropyl-[3-[[2-[bis[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]acetyl]amino]propyl]amino]propylamino]-2-oxoethyl]-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]propyl]carbamate
CID 102435232
tert-butyl N-[2-(4-oxohexoxy)ethyl]carbamate
CID 158645780
4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]-4-oxobutanoic acid
CID 10018649

Frequently Asked Questions

What is the IUPAC name of 2-[bis[2-(2-aminoethoxy)ethyl]amino]acetic acid;2-[bis[2-(2-aminoethoxy)ethyl]amino]-N-[2-[2-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethyl]acetamide;1-[bis[2-(2-aminoethoxy)ethyl]amino]propan-2-one;2-[bis[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]acetic acid;tert-butyl N-[2-[2-[[5-[2-[2-[2-[[2-[bis[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]-2-oxopentyl]-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethyl]carbamate;4-[2-[2-[carboxymethyl-[2-[2-(3-carboxypropanoylamino)ethoxy]ethyl]amino]ethoxy]ethylamino]-4-oxobutanoic acid;4-[2-[2-[2-[2-(3-carboxypropanoylamino)ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethylamino]-4-oxobutanoic acid?
The IUPAC name of 2-[bis[2-(2-aminoethoxy)ethyl]amino]acetic acid;2-[bis[2-(2-aminoethoxy)ethyl]amino]-N-[2-[2-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethyl]acetamide;1-[bis[2-(2-aminoethoxy)ethyl]amino]propan-2-one;2-[bis[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]acetic acid;tert-butyl N-[2-[2-[[5-[2-[2-[2-[[2-[bis[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]-2-oxopentyl]-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethyl]carbamate;4-[2-[2-[carboxymethyl-[2-[2-(3-carboxypropanoylamino)ethoxy]ethyl]amino]ethoxy]ethylamino]-4-oxobutanoic acid;4-[2-[2-[2-[2-(3-carboxypropanoylamino)ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethylamino]-4-oxobutanoic acid (CID 158869627) is 2-[bis[2-(2-aminoethoxy)ethyl]amino]acetic acid;2-[bis[2-(2-aminoethoxy)ethyl]amino]-N-[2-[2-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethyl]acetamide;1-[bis[2-(2-aminoethoxy)ethyl]amino]propan-2-one;2-[bis[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]acetic acid;tert-butyl N-[2-[2-[[5-[2-[2-[2-[[2-[bis[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]-2-oxopentyl]-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethyl]carbamate;4-[2-[2-[carboxymethyl-[2-[2-(3-carboxypropanoylamino)ethoxy]ethyl]amino]ethoxy]ethylamino]-4-oxobutanoic acid;4-[2-[2-[2-[2-(3-carboxypropanoylamino)ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethylamino]-4-oxobutanoic acid.
What is the SMILES notation for 2-[bis[2-(2-aminoethoxy)ethyl]amino]acetic acid;2-[bis[2-(2-aminoethoxy)ethyl]amino]-N-[2-[2-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethyl]acetamide;1-[bis[2-(2-aminoethoxy)ethyl]amino]propan-2-one;2-[bis[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]acetic acid;tert-butyl N-[2-[2-[[5-[2-[2-[2-[[2-[bis[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]-2-oxopentyl]-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethyl]carbamate;4-[2-[2-[carboxymethyl-[2-[2-(3-carboxypropanoylamino)ethoxy]ethyl]amino]ethoxy]ethylamino]-4-oxobutanoic acid;4-[2-[2-[2-[2-(3-carboxypropanoylamino)ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethylamino]-4-oxobutanoic acid?
The canonical SMILES for 2-[bis[2-(2-aminoethoxy)ethyl]amino]acetic acid;2-[bis[2-(2-aminoethoxy)ethyl]amino]-N-[2-[2-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethyl]acetamide;1-[bis[2-(2-aminoethoxy)ethyl]amino]propan-2-one;2-[bis[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]acetic acid;tert-butyl N-[2-[2-[[5-[2-[2-[2-[[2-[bis[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]-2-oxopentyl]-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethyl]carbamate;4-[2-[2-[carboxymethyl-[2-[2-(3-carboxypropanoylamino)ethoxy]ethyl]amino]ethoxy]ethylamino]-4-oxobutanoic acid;4-[2-[2-[2-[2-(3-carboxypropanoylamino)ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethylamino]-4-oxobutanoic acid is CC(=O)CN(CCOCCCC(=O)CN(CCOCCN)CCOCCN)CCOCCNC(=O)CN(CCOCCN)CCOCCN.CC(=O)CN(CCOCCCC(=O)CN(CCOCCNC(=O)OC(C)(C)C)CCOCCNC(=O)OC(C)(C)C)CCOCCNC(=O)CN(CCOCCNC(=O)OC(C)(C)C)CCOCCNC(=O)OC(C)(C)C.CC(=O)CN(CCOCCN)CCOCCN.CC(=O)CN(CCOCCNC(=O)CCC(=O)O)CCOCCNC(=O)CCC(=O)O.CC(=O)CN(CCOCCNC(=O)OC(C)(C)C)CCOCCNC(=O)OC(C)(C)C.CC(C)(C)OC(=O)NCCOCCN(CCOCCNC(=O)OC(C)(C)C)CC(=O)O.NCCOCCN(CCOCCN)CC(=O)O.O=C(O)CCC(=O)NCCOCCN(CCOCCNC(=O)CCC(=O)O)CC(=O)O.
What is the InChIKey of 2-[bis[2-(2-aminoethoxy)ethyl]amino]acetic acid;2-[bis[2-(2-aminoethoxy)ethyl]amino]-N-[2-[2-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethyl]acetamide;1-[bis[2-(2-aminoethoxy)ethyl]amino]propan-2-one;2-[bis[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]acetic acid;tert-butyl N-[2-[2-[[5-[2-[2-[2-[[2-[bis[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]-2-oxopentyl]-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethyl]carbamate;4-[2-[2-[carboxymethyl-[2-[2-(3-carboxypropanoylamino)ethoxy]ethyl]amino]ethoxy]ethylamino]-4-oxobutanoic acid;4-[2-[2-[2-[2-(3-carboxypropanoylamino)ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethylamino]-4-oxobutanoic acid?
The InChIKey is JBRIPWNMRRCKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H100N8O17.C32H68N8O9.C21H41N3O7.C20H39N3O8.C19H33N3O9.C18H31N3O10.C11H25N3O3.C10H23N3O4/c1-42(61)39-58(21-33-68-27-14-15-43(62)40-59(23-35-70-29-17-54-45(64)74-49(2,3)4)24-36-71-30-18-55-46(65)75-50(5,6)7)22-34-69-28-16-53-44(63)41-60(25-37-72-31-19-56-47(66)76-51(8,9)10)26-38-73-32-20-57-48(67)77-52(11,12)13;1-30(41)27-38(9-21-44-15-2-3-31(42)28-39(11-22-45-16-4-33)12-23-46-17-5-34)10-26-49-20-8-37-32(43)29-40(13-24-47-18-6-35)14-25-48-19-7-36;1-17(25)16-24(10-14-28-12-8-22-18(26)30-20(2,3)4)11-15-29-13-9-23-19(27)31-21(5,6)7;1-19(2,3)30-17(26)21-7-11-28-13-9-23(15-16(24)25)10-14-29-12-8-22-18(27)31-20(4,5)6;1-15(23)14-22(8-12-30-10-6-20-16(24)2-4-18(26)27)9-13-31-11-7-21-17(25)3-5-19(28)29;22-14(1-3-16(24)25)19-5-9-30-11-7-21(13-18(28)29)8-12-31-10-6-20-15(23)2-4-17(26)27;1-11(15)10-14(4-8-16-6-2-12)5-9-17-7-3-13;11-1-5-16-7-3-13(9-10(14)15)4-8-17-6-2-12/h14-41H2,1-13H3,(H,53,63)(H,54,64)(H,55,65)(H,56,66)(H,57,67);2-29,33-36H2,1H3,(H,37,43);8-16H2,1-7H3,(H,22,26)(H,23,27);7-15H2,1-6H3,(H,21,26)(H,22,27)(H,24,25);2-14H2,1H3,(H,20,24)(H,21,25)(H,26,27)(H,28,29);1-13H2,(H,19,22)(H,20,23)(H,24,25)(H,26,27)(H,28,29);2-10,12-13H2,1H3;1-9,11-12H2,(H,14,15).
What are the key properties of 2-[bis[2-(2-aminoethoxy)ethyl]amino]acetic acid;2-[bis[2-(2-aminoethoxy)ethyl]amino]-N-[2-[2-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethyl]acetamide;1-[bis[2-(2-aminoethoxy)ethyl]amino]propan-2-one;2-[bis[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]acetic acid;tert-butyl N-[2-[2-[[5-[2-[2-[2-[[2-[bis[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]-2-oxopentyl]-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethyl]carbamate;4-[2-[2-[carboxymethyl-[2-[2-(3-carboxypropanoylamino)ethoxy]ethyl]amino]ethoxy]ethylamino]-4-oxobutanoic acid;4-[2-[2-[2-[2-(3-carboxypropanoylamino)ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethylamino]-4-oxobutanoic acid?
2-[bis[2-(2-aminoethoxy)ethyl]amino]acetic acid;2-[bis[2-(2-aminoethoxy)ethyl]amino]-N-[2-[2-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethyl]acetamide;1-[bis[2-(2-aminoethoxy)ethyl]amino]propan-2-one;2-[bis[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]acetic acid;tert-butyl N-[2-[2-[[5-[2-[2-[2-[[2-[bis[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]-2-oxopentyl]-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethyl]carbamate;4-[2-[2-[carboxymethyl-[2-[2-(3-carboxypropanoylamino)ethoxy]ethyl]amino]ethoxy]ethylamino]-4-oxobutanoic acid;4-[2-[2-[2-[2-(3-carboxypropanoylamino)ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethylamino]-4-oxobutanoic acid has a molecular weight of 4109.06 g/mol, XLogP of -2.17, 174 rotatable bonds, 29 hydrogen bond donors, and 80 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[2-(2-aminoethoxy)ethyl]amino]acetic acid;2-[bis[2-(2-aminoethoxy)ethyl]amino]-N-[2-[2-[2-[5-[bis[2-(2-aminoethoxy)ethyl]amino]-4-oxopentoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethyl]acetamide;1-[bis[2-(2-aminoethoxy)ethyl]amino]propan-2-one;2-[bis[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]acetic acid;tert-butyl N-[2-[2-[[5-[2-[2-[2-[[2-[bis[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]acetyl]amino]ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]-2-oxopentyl]-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]amino]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethyl]carbamate;4-[2-[2-[carboxymethyl-[2-[2-(3-carboxypropanoylamino)ethoxy]ethyl]amino]ethoxy]ethylamino]-4-oxobutanoic acid;4-[2-[2-[2-[2-(3-carboxypropanoylamino)ethoxy]ethyl-(2-oxopropyl)amino]ethoxy]ethylamino]-4-oxobutanoic acid is sourced from PubChem (CID 158869627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).