tert-butylazanide;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[[4-[2-(2-methoxyethoxy)ethylamino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl hydrogen carbonate;yttrium

C32H53N7O10Y-2 — CID 177101775

About tert-butylazanide;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[[4-[2-(2-methoxyethoxy)ethylamino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl hydrogen carbonate;yttrium

tert-butylazanide;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[[4-[2-(2-methoxyethoxy)ethylamino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl hydrogen carbonate;yttrium (PubChem CID 177101775) has the molecular formula C32H53N7O10Y-2 and a molecular weight of 784.72 g/mol. Its IUPAC name is tert-butylazanide;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[[4-[2-(2-methoxyethoxy)ethylamino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl hydrogen carbonate;yttrium.

Molecular Properties

• Compound Name: tert-butylazanide;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[[4-[2-(2-methoxyethoxy)ethylamino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl hydrogen carbonate;yttrium
• PubChem CID: 177101775
• Molecular Formula: C32H53N7O10Y-2
• Molecular Weight: 784.72 g/mol
• Exact Mass: 784.29
• IUPAC Name: tert-butylazanide;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[[4-[2-(2-methoxyethoxy)ethylamino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl hydrogen carbonate;yttrium
• SMILES: CC(C)(C)[NH-].COCCOCCNC(=O)[CH-]CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)O)cc1)C(C)C.[Y]
• InChI: InChI=1S/C28H43N6O10.C4H10N.Y/c1-18(2)24(34-23(36)11-10-22(35)30-13-14-43-16-15-42-3)26(38)33-21(5-4-12-31-27(29)39)25(37)32-20-8-6-19(7-9-20)17-44-28(40)41;1-4(2,3)5;/h6-10,18,21,24H,4-5,11-17H2,1-3H3,(H,30,35)(H,32,37)(H,33,38)(H,34,36)(H,40,41)(H3,29,31,39);5H,1-3H3;/q2*-1;/t21-,24-;;/m0../s1
• InChIKey: LEKALKBOANNOJW-XQXCFHDDSA-N
• XLogP: 2.10
• TPSA: 260.31 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 9
• Rotatable Bonds: 21
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	784.72
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butylazanide;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[[4-[2-(2-methoxyethoxy)ethylamino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl hydrogen carbonate;yttrium?

The IUPAC name of tert-butylazanide;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[[4-[2-(2-methoxyethoxy)ethylamino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl hydrogen carbonate;yttrium (CID 177101775) is tert-butylazanide;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[[4-[2-(2-methoxyethoxy)ethylamino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl hydrogen carbonate;yttrium.

What is the SMILES notation for tert-butylazanide;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[[4-[2-(2-methoxyethoxy)ethylamino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl hydrogen carbonate;yttrium?

The canonical SMILES for tert-butylazanide;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[[4-[2-(2-methoxyethoxy)ethylamino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl hydrogen carbonate;yttrium is CC(C)(C)[NH-].COCCOCCNC(=O)[CH-]CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)O)cc1)C(C)C.[Y].

What is the InChIKey of tert-butylazanide;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[[4-[2-(2-methoxyethoxy)ethylamino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl hydrogen carbonate;yttrium?

The InChIKey is LEKALKBOANNOJW-XQXCFHDDSA-N. The full InChI is InChI=1S/C28H43N6O10.C4H10N.Y/c1-18(2)24(34-23(36)11-10-22(35)30-13-14-43-16-15-42-3)26(38)33-21(5-4-12-31-27(29)39)25(37)32-20-8-6-19(7-9-20)17-44-28(40)41;1-4(2,3)5;/h6-10,18,21,24H,4-5,11-17H2,1-3H3,(H,30,35)(H,32,37)(H,33,38)(H,34,36)(H,40,41)(H3,29,31,39);5H,1-3H3;/q2*-1;/t21-,24-;;/m0../s1.

What are the key properties of tert-butylazanide;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[[4-[2-(2-methoxyethoxy)ethylamino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl hydrogen carbonate;yttrium?

tert-butylazanide;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[[4-[2-(2-methoxyethoxy)ethylamino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl hydrogen carbonate;yttrium has a molecular weight of 784.72 g/mol, XLogP of 2.10, 21 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butylazanide;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[[4-[2-(2-methoxyethoxy)ethylamino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl hydrogen carbonate;yttrium is sourced from PubChem (CID 177101775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).