2-[2-[[2-[2-[[2-[2-[bis(carboxymethyl)amino]ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethylamino]-2-oxoethyl]-(3-methyl-2-oxobutyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]-N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethyl]acetamide;4-[2-(2,6-dioxomorpholin-4-yl)ethyl]morpholine-2,6-dione;ethane-1,2-diamine;hydrogen peroxide

C72H126N20O30 — CID 161170877

About 2-[2-[[2-[2-[[2-[2-[bis(carboxymethyl)amino]ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethylamino]-2-oxoethyl]-(3-methyl-2-oxobutyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]-N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethyl]acetamide;4-[2-(2,6-dioxomorpholin-4-yl)ethyl]morpholine-2,6-dione;ethane-1,2-diamine;hydrogen peroxide

2-[2-[[2-[2-[[2-[2-[bis(carboxymethyl)amino]ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethylamino]-2-oxoethyl]-(3-methyl-2-oxobutyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]-N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethyl]acetamide;4-[2-(2,6-dioxomorpholin-4-yl)ethyl]morpholine-2,6-dione;ethane-1,2-diamine;hydrogen peroxide (PubChem CID 161170877) has the molecular formula C72H126N20O30 and a molecular weight of 1751.91 g/mol. Its IUPAC name is 2-[2-[[2-[2-[[2-[2-[bis(carboxymethyl)amino]ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethylamino]-2-oxoethyl]-(3-methyl-2-oxobutyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]-N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethyl]acetamide;4-[2-(2,6-dioxomorpholin-4-yl)ethyl]morpholine-2,6-dione;ethane-1,2-diamine;hydrogen peroxide.

Molecular Properties

• Compound Name: 2-[2-[[2-[2-[[2-[2-[bis(carboxymethyl)amino]ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethylamino]-2-oxoethyl]-(3-methyl-2-oxobutyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]-N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethyl]acetamide;4-[2-(2,6-dioxomorpholin-4-yl)ethyl]morpholine-2,6-dione;ethane-1,2-diamine;hydrogen peroxide
• PubChem CID: 161170877
• Molecular Formula: C72H126N20O30
• Molecular Weight: 1751.91 g/mol
• Exact Mass: 1750.89
• IUPAC Name: 2-[2-[[2-[2-[[2-[2-[bis(carboxymethyl)amino]ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethylamino]-2-oxoethyl]-(3-methyl-2-oxobutyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]-N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethyl]acetamide;4-[2-(2,6-dioxomorpholin-4-yl)ethyl]morpholine-2,6-dione;ethane-1,2-diamine;hydrogen peroxide
• SMILES: CC(C)NCCNC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)NCCNC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)C(C)C.CC(C)NCCNC(=O)CN(CCN1CC(=O)OC(=O)C1)CC(=O)NCCNC(=O)CN(CCN1CC(=O)OC(=O)C1)CC(=O)C(C)C.NCCN.O=C1CN(CCN2CC(=O)OC(=O)C2)CC(=O)O1.OO
• InChI: InChI=1S/C30H54N8O12.C30H50N8O10.C10H12N2O6.C2H8N2.H2O2/c1-21(2)23(39)13-35(9-11-37(17-27(43)44)18-28(45)46)14-24(40)33-7-8-34-26(42)16-36(15-25(41)32-6-5-31-22(3)4)10-12-38(19-29(47)48)20-30(49)50;1-21(2)23(39)13-35(9-11-37-17-27(43)47-28(44)18-37)14-24(40)33-7-8-34-26(42)16-36(15-25(41)32-6-5-31-22(3)4)10-12-38-19-29(45)48-30(46)20-38;13-7-3-11(4-8(14)17-7)1-2-12-5-9(15)18-10(16)6-12;3-1-2-4;1-2/h21-22,31H,5-20H2,1-4H3,(H,32,41)(H,33,40)(H,34,42)(H,43,44)(H,45,46)(H,47,48)(H,49,50);21-22,31H,5-20H2,1-4H3,(H,32,41)(H,33,40)(H,34,42);1-6H2;1-4H2;1-2H
• InChIKey: URDRPFUHWGNEJR-UHFFFAOYSA-N
• XLogP: -11.28
• TPSA: 680.38 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 40
• Rotatable Bonds: 56
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1751.91
LogP ≤ 5	-11.28
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-[2-[[2-[2-[bis(carboxymethyl)amino]ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethylamino]-2-oxoethyl]-(3-methyl-2-oxobutyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]-N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethyl]acetamide;4-[2-(2,6-dioxomorpholin-4-yl)ethyl]morpholine-2,6-dione;ethane-1,2-diamine;hydrogen peroxide?

The IUPAC name of 2-[2-[[2-[2-[[2-[2-[bis(carboxymethyl)amino]ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethylamino]-2-oxoethyl]-(3-methyl-2-oxobutyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]-N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethyl]acetamide;4-[2-(2,6-dioxomorpholin-4-yl)ethyl]morpholine-2,6-dione;ethane-1,2-diamine;hydrogen peroxide (CID 161170877) is 2-[2-[[2-[2-[[2-[2-[bis(carboxymethyl)amino]ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethylamino]-2-oxoethyl]-(3-methyl-2-oxobutyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]-N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethyl]acetamide;4-[2-(2,6-dioxomorpholin-4-yl)ethyl]morpholine-2,6-dione;ethane-1,2-diamine;hydrogen peroxide.

What is the SMILES notation for 2-[2-[[2-[2-[[2-[2-[bis(carboxymethyl)amino]ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethylamino]-2-oxoethyl]-(3-methyl-2-oxobutyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]-N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethyl]acetamide;4-[2-(2,6-dioxomorpholin-4-yl)ethyl]morpholine-2,6-dione;ethane-1,2-diamine;hydrogen peroxide?

The canonical SMILES for 2-[2-[[2-[2-[[2-[2-[bis(carboxymethyl)amino]ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethylamino]-2-oxoethyl]-(3-methyl-2-oxobutyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]-N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethyl]acetamide;4-[2-(2,6-dioxomorpholin-4-yl)ethyl]morpholine-2,6-dione;ethane-1,2-diamine;hydrogen peroxide is CC(C)NCCNC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)NCCNC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)C(C)C.CC(C)NCCNC(=O)CN(CCN1CC(=O)OC(=O)C1)CC(=O)NCCNC(=O)CN(CCN1CC(=O)OC(=O)C1)CC(=O)C(C)C.NCCN.O=C1CN(CCN2CC(=O)OC(=O)C2)CC(=O)O1.OO.

What is the InChIKey of 2-[2-[[2-[2-[[2-[2-[bis(carboxymethyl)amino]ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethylamino]-2-oxoethyl]-(3-methyl-2-oxobutyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]-N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethyl]acetamide;4-[2-(2,6-dioxomorpholin-4-yl)ethyl]morpholine-2,6-dione;ethane-1,2-diamine;hydrogen peroxide?

The InChIKey is URDRPFUHWGNEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54N8O12.C30H50N8O10.C10H12N2O6.C2H8N2.H2O2/c1-21(2)23(39)13-35(9-11-37(17-27(43)44)18-28(45)46)14-24(40)33-7-8-34-26(42)16-36(15-25(41)32-6-5-31-22(3)4)10-12-38(19-29(47)48)20-30(49)50;1-21(2)23(39)13-35(9-11-37-17-27(43)47-28(44)18-37)14-24(40)33-7-8-34-26(42)16-36(15-25(41)32-6-5-31-22(3)4)10-12-38-19-29(45)48-30(46)20-38;13-7-3-11(4-8(14)17-7)1-2-12-5-9(15)18-10(16)6-12;3-1-2-4;1-2/h21-22,31H,5-20H2,1-4H3,(H,32,41)(H,33,40)(H,34,42)(H,43,44)(H,45,46)(H,47,48)(H,49,50);21-22,31H,5-20H2,1-4H3,(H,32,41)(H,33,40)(H,34,42);1-6H2;1-4H2;1-2H.

What are the key properties of 2-[2-[[2-[2-[[2-[2-[bis(carboxymethyl)amino]ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethylamino]-2-oxoethyl]-(3-methyl-2-oxobutyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]-N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethyl]acetamide;4-[2-(2,6-dioxomorpholin-4-yl)ethyl]morpholine-2,6-dione;ethane-1,2-diamine;hydrogen peroxide?

2-[2-[[2-[2-[[2-[2-[bis(carboxymethyl)amino]ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethylamino]-2-oxoethyl]-(3-methyl-2-oxobutyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]-N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethyl]acetamide;4-[2-(2,6-dioxomorpholin-4-yl)ethyl]morpholine-2,6-dione;ethane-1,2-diamine;hydrogen peroxide has a molecular weight of 1751.91 g/mol, XLogP of -11.28, 56 rotatable bonds, 16 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[2-[2-[[2-[2-[bis(carboxymethyl)amino]ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethylamino]-2-oxoethyl]-(3-methyl-2-oxobutyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]-N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethyl]acetamide;4-[2-(2,6-dioxomorpholin-4-yl)ethyl]morpholine-2,6-dione;ethane-1,2-diamine;hydrogen peroxide is sourced from PubChem (CID 161170877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).