2-[(2-amino-2-oxoethyl)-[2-[2-[2-[(2-amino-2-oxoethyl)-[2-[2-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]hydrazinyl]-2-oxoethyl]amino]acetyl]hydrazinyl]-2-oxoethyl]amino]acetamide — IUPAC name, SMILES, InChIKey & properties

Name: 2-[(2-amino-2-oxoethyl)-[2-[2-[2-[(2-amino-2-oxoethyl)-[2-[2-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]hydrazinyl]-2-oxoethyl]amino]acetyl]hydrazinyl]-2-oxoethyl]amino]acetamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 2-[(2-amino-2-oxoethyl)-[2-[2-[2-[(2-amino-2-oxoethyl)-[2-[2-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]hydrazinyl]-2-oxoethyl]amino]acetyl]hydrazinyl]-2-oxoethyl]amino]acetamide

2-[(2-amino-2-oxoethyl)-[2-[2-[2-[(2-amino-2-oxoethyl)-[2-[2-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]hydrazinyl]-2-oxoethyl]amino]acetyl]hydrazinyl]-2-oxoethyl]amino]acetamide (PubChem CID 146478206) has the molecular formula C32H57N9O22 and a molecular weight of 919.85 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[2-[2-[2-[(2-amino-2-oxoethyl)-[2-[2-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]hydrazinyl]-2-oxoethyl]amino]acetyl]hydrazinyl]-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound Name	2-[(2-amino-2-oxoethyl)-[2-[2-[2-[(2-amino-2-oxoethyl)-[2-[2-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]hydrazinyl]-2-oxoethyl]amino]acetyl]hydrazinyl]-2-oxoethyl]amino]acetamide
PubChem CID	146478206
Molecular Formula	C32H57N9O22
Molecular Weight	919.85 g/mol
Exact Mass	919.36
IUPAC Name	2-[(2-amino-2-oxoethyl)-[2-[2-[2-[(2-amino-2-oxoethyl)-[2-[2-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]hydrazinyl]-2-oxoethyl]amino]acetyl]hydrazinyl]-2-oxoethyl]amino]acetamide
SMILES	NC(=O)CN(CC(N)=O)CC(=O)NNC(=O)CN(CC(N)=O)CC(=O)NNCCO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O
InChI	InChI=1S/C32H57N9O22/c33-15(44)3-40(4-16(34)45)7-19(48)38-39-20(49)8-41(5-17(35)46)6-18(47)37-36-1-2-58-31-28(57)29(63-32-27(56)25(54)22(51)13(10-43)61-32)23(52)14(62-31)11-59-30-26(55)24(53)21(50)12(9-42)60-30/h12-14,21-32,36,42-43,50-57H,1-11H2,(H2,33,44)(H2,34,45)(H2,35,46)(H,37,47)(H,38,48)(H,39,49)/t12-,13-,14-,21-,22-,23-,24+,25+,26+,27+,28+,29+,30+,31+,32-/m1/s1
InChIKey	KAZFUNWBIHPSNF-CXOKPRSRSA-N
XLogP	-13.72
TPSA	492.76 Å²
H-Bond Donors	17
H-Bond Acceptors	25
Rotatable Bonds	24
Heavy Atoms	63
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	919.85
LogP ≤ 5	-13.72
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(2-amino-2-oxoethyl)-[2-[2-[2-[(2-amino-2-oxoethyl)-[2-[2-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]hydrazinyl]-2-oxoethyl]amino]acetyl]hydrazinyl]-2-oxoethyl]amino]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[2-[2-[2-[(2-amino-2-oxoethyl)-[2-[2-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]hydrazinyl]-2-oxoethyl]amino]acetyl]hydrazinyl]-2-oxoethyl]amino]acetamide?

The IUPAC name of 2-[(2-amino-2-oxoethyl)-[2-[2-[2-[(2-amino-2-oxoethyl)-[2-[2-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]hydrazinyl]-2-oxoethyl]amino]acetyl]hydrazinyl]-2-oxoethyl]amino]acetamide (CID 146478206) is 2-[(2-amino-2-oxoethyl)-[2-[2-[2-[(2-amino-2-oxoethyl)-[2-[2-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]hydrazinyl]-2-oxoethyl]amino]acetyl]hydrazinyl]-2-oxoethyl]amino]acetamide.

What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[2-[2-[2-[(2-amino-2-oxoethyl)-[2-[2-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]hydrazinyl]-2-oxoethyl]amino]acetyl]hydrazinyl]-2-oxoethyl]amino]acetamide?

The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[2-[2-[2-[(2-amino-2-oxoethyl)-[2-[2-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]hydrazinyl]-2-oxoethyl]amino]acetyl]hydrazinyl]-2-oxoethyl]amino]acetamide is NC(=O)CN(CC(N)=O)CC(=O)NNC(=O)CN(CC(N)=O)CC(=O)NNCCO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O.

What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[2-[2-[2-[(2-amino-2-oxoethyl)-[2-[2-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]hydrazinyl]-2-oxoethyl]amino]acetyl]hydrazinyl]-2-oxoethyl]amino]acetamide?

The InChIKey is KAZFUNWBIHPSNF-CXOKPRSRSA-N. The full InChI is InChI=1S/C32H57N9O22/c33-15(44)3-40(4-16(34)45)7-19(48)38-39-20(49)8-41(5-17(35)46)6-18(47)37-36-1-2-58-31-28(57)29(63-32-27(56)25(54)22(51)13(10-43)61-32)23(52)14(62-31)11-59-30-26(55)24(53)21(50)12(9-42)60-30/h12-14,21-32,36,42-43,50-57H,1-11H2,(H2,33,44)(H2,34,45)(H2,35,46)(H,37,47)(H,38,48)(H,39,49)/t12-,13-,14-,21-,22-,23-,24+,25+,26+,27+,28+,29+,30+,31+,32-/m1/s1.

What are the key properties of 2-[(2-amino-2-oxoethyl)-[2-[2-[2-[(2-amino-2-oxoethyl)-[2-[2-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]hydrazinyl]-2-oxoethyl]amino]acetyl]hydrazinyl]-2-oxoethyl]amino]acetamide?

Where does this data come from?

All data for 2-[(2-amino-2-oxoethyl)-[2-[2-[2-[(2-amino-2-oxoethyl)-[2-[2-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]hydrazinyl]-2-oxoethyl]amino]acetyl]hydrazinyl]-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 146478206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).