[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[[(2S)-1-[2-[2-[2-[2-[2-[2-(carboxyamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid

C38H65N7O14 — CID 174213104

About [(2S)-1-[[(2S)-5-(carbamoylamino)-1-[[(2S)-1-[2-[2-[2-[2-[2-[2-(carboxyamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid

[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[[(2S)-1-[2-[2-[2-[2-[2-[2-(carboxyamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid (PubChem CID 174213104) has the molecular formula C38H65N7O14 and a molecular weight of 843.97 g/mol. Its IUPAC name is [(2S)-1-[[(2S)-5-(carbamoylamino)-1-[[(2S)-1-[2-[2-[2-[2-[2-[2-(carboxyamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [(2S)-1-[[(2S)-5-(carbamoylamino)-1-[[(2S)-1-[2-[2-[2-[2-[2-[2-(carboxyamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid
• PubChem CID: 174213104
• Molecular Formula: C38H65N7O14
• Molecular Weight: 843.97 g/mol
• Exact Mass: 843.46
• IUPAC Name: [(2S)-1-[[(2S)-5-(carbamoylamino)-1-[[(2S)-1-[2-[2-[2-[2-[2-[2-(carboxyamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid
• SMILES: CC(C)[C@H](NC(=O)O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccc(OC(C)(C)C)cc1)C(=O)NCCOCCOCCOCCOCCOCCNC(=O)O
• InChI: InChI=1S/C38H65N7O14/c1-26(2)31(45-37(52)53)34(48)43-29(7-6-12-41-35(39)49)33(47)44-30(25-27-8-10-28(11-9-27)59-38(3,4)5)32(46)40-13-15-54-17-19-56-21-23-58-24-22-57-20-18-55-16-14-42-36(50)51/h8-11,26,29-31,42,45H,6-7,12-25H2,1-5H3,(H,40,46)(H,43,48)(H,44,47)(H,50,51)(H,52,53)(H3,39,41,49)/t29-,30-,31-/m0/s1
• InChIKey: LUANMEXWANEDJA-CHQNGUEUSA-N
• XLogP: 0.58
• TPSA: 296.46 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 12
• Rotatable Bonds: 32
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	843.97
LogP ≤ 5	0.58
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[(2S)-5-(carbamoylamino)-1-[[(2S)-1-[2-[2-[2-[2-[2-[2-(carboxyamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid?

The IUPAC name of [(2S)-1-[[(2S)-5-(carbamoylamino)-1-[[(2S)-1-[2-[2-[2-[2-[2-[2-(carboxyamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid (CID 174213104) is [(2S)-1-[[(2S)-5-(carbamoylamino)-1-[[(2S)-1-[2-[2-[2-[2-[2-[2-(carboxyamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid.

What is the SMILES notation for [(2S)-1-[[(2S)-5-(carbamoylamino)-1-[[(2S)-1-[2-[2-[2-[2-[2-[2-(carboxyamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid?

The canonical SMILES for [(2S)-1-[[(2S)-5-(carbamoylamino)-1-[[(2S)-1-[2-[2-[2-[2-[2-[2-(carboxyamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid is CC(C)[C@H](NC(=O)O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccc(OC(C)(C)C)cc1)C(=O)NCCOCCOCCOCCOCCOCCNC(=O)O.

What is the InChIKey of [(2S)-1-[[(2S)-5-(carbamoylamino)-1-[[(2S)-1-[2-[2-[2-[2-[2-[2-(carboxyamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid?

The InChIKey is LUANMEXWANEDJA-CHQNGUEUSA-N. The full InChI is InChI=1S/C38H65N7O14/c1-26(2)31(45-37(52)53)34(48)43-29(7-6-12-41-35(39)49)33(47)44-30(25-27-8-10-28(11-9-27)59-38(3,4)5)32(46)40-13-15-54-17-19-56-21-23-58-24-22-57-20-18-55-16-14-42-36(50)51/h8-11,26,29-31,42,45H,6-7,12-25H2,1-5H3,(H,40,46)(H,43,48)(H,44,47)(H,50,51)(H,52,53)(H3,39,41,49)/t29-,30-,31-/m0/s1.

What are the key properties of [(2S)-1-[[(2S)-5-(carbamoylamino)-1-[[(2S)-1-[2-[2-[2-[2-[2-[2-(carboxyamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid?

[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[[(2S)-1-[2-[2-[2-[2-[2-[2-(carboxyamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid has a molecular weight of 843.97 g/mol, XLogP of 0.58, 32 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-1-[[(2S)-5-(carbamoylamino)-1-[[(2S)-1-[2-[2-[2-[2-[2-[2-(carboxyamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid is sourced from PubChem (CID 174213104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).