2-[2-(2-aminoethoxy)ethoxy]ethyl N-[[(1R)-7-hydroxy-3-[[2-[4-methyl-3-[pentanoyl(propyl)amino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]carbamate

C39H62N6O9S — CID 155371988

About 2-[2-(2-aminoethoxy)ethoxy]ethyl N-[[(1R)-7-hydroxy-3-[[2-[4-methyl-3-[pentanoyl(propyl)amino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]carbamate

2-[2-(2-aminoethoxy)ethoxy]ethyl N-[[(1R)-7-hydroxy-3-[[2-[4-methyl-3-[pentanoyl(propyl)amino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]carbamate (PubChem CID 155371988) has the molecular formula C39H62N6O9S and a molecular weight of 791.02 g/mol. Its IUPAC name is 2-[2-(2-aminoethoxy)ethoxy]ethyl N-[[(1R)-7-hydroxy-3-[[2-[4-methyl-3-[pentanoyl(propyl)amino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]carbamate.

Molecular Properties

• Compound Name: 2-[2-(2-aminoethoxy)ethoxy]ethyl N-[[(1R)-7-hydroxy-3-[[2-[4-methyl-3-[pentanoyl(propyl)amino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]carbamate
• PubChem CID: 155371988
• Molecular Formula: C39H62N6O9S
• Molecular Weight: 791.02 g/mol
• Exact Mass: 790.43
• IUPAC Name: 2-[2-(2-aminoethoxy)ethoxy]ethyl N-[[(1R)-7-hydroxy-3-[[2-[4-methyl-3-[pentanoyl(propyl)amino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]carbamate
• SMILES: CCCCC(=O)N(CCC)C(CC(OCCC)c1nc(C(=O)NC2Cc3ccc(O)cc3[C@H](C(=O)NNC(=O)OCCOCCOCCN)C2)cs1)C(C)C
• InChI: InChI=1S/C39H62N6O9S/c1-6-9-10-35(47)45(14-7-2)33(26(4)5)24-34(53-15-8-3)38-42-32(25-55-38)37(49)41-28-21-27-11-12-29(46)23-30(27)31(22-28)36(48)43-44-39(50)54-20-19-52-18-17-51-16-13-40/h11-12,23,25-26,28,31,33-34,46H,6-10,13-22,24,40H2,1-5H3,(H,41,49)(H,43,48)(H,44,50)/t28?,31-,33?,34?/m1/s1
• InChIKey: IRAIXTGYOULRIJ-ZESDAMFQSA-N
• XLogP: 4.74
• TPSA: 203.67 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 24
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.02
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethoxy)ethoxy]ethyl N-[[(1R)-7-hydroxy-3-[[2-[4-methyl-3-[pentanoyl(propyl)amino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]carbamate?

The IUPAC name of 2-[2-(2-aminoethoxy)ethoxy]ethyl N-[[(1R)-7-hydroxy-3-[[2-[4-methyl-3-[pentanoyl(propyl)amino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]carbamate (CID 155371988) is 2-[2-(2-aminoethoxy)ethoxy]ethyl N-[[(1R)-7-hydroxy-3-[[2-[4-methyl-3-[pentanoyl(propyl)amino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]carbamate.

What is the SMILES notation for 2-[2-(2-aminoethoxy)ethoxy]ethyl N-[[(1R)-7-hydroxy-3-[[2-[4-methyl-3-[pentanoyl(propyl)amino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]carbamate?

The canonical SMILES for 2-[2-(2-aminoethoxy)ethoxy]ethyl N-[[(1R)-7-hydroxy-3-[[2-[4-methyl-3-[pentanoyl(propyl)amino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]carbamate is CCCCC(=O)N(CCC)C(CC(OCCC)c1nc(C(=O)NC2Cc3ccc(O)cc3[C@H](C(=O)NNC(=O)OCCOCCOCCN)C2)cs1)C(C)C.

What is the InChIKey of 2-[2-(2-aminoethoxy)ethoxy]ethyl N-[[(1R)-7-hydroxy-3-[[2-[4-methyl-3-[pentanoyl(propyl)amino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]carbamate?

The InChIKey is IRAIXTGYOULRIJ-ZESDAMFQSA-N. The full InChI is InChI=1S/C39H62N6O9S/c1-6-9-10-35(47)45(14-7-2)33(26(4)5)24-34(53-15-8-3)38-42-32(25-55-38)37(49)41-28-21-27-11-12-29(46)23-30(27)31(22-28)36(48)43-44-39(50)54-20-19-52-18-17-51-16-13-40/h11-12,23,25-26,28,31,33-34,46H,6-10,13-22,24,40H2,1-5H3,(H,41,49)(H,43,48)(H,44,50)/t28?,31-,33?,34?/m1/s1.

What are the key properties of 2-[2-(2-aminoethoxy)ethoxy]ethyl N-[[(1R)-7-hydroxy-3-[[2-[4-methyl-3-[pentanoyl(propyl)amino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]carbamate?

2-[2-(2-aminoethoxy)ethoxy]ethyl N-[[(1R)-7-hydroxy-3-[[2-[4-methyl-3-[pentanoyl(propyl)amino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]carbamate has a molecular weight of 791.02 g/mol, XLogP of 4.74, 24 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2-aminoethoxy)ethoxy]ethyl N-[[(1R)-7-hydroxy-3-[[2-[4-methyl-3-[pentanoyl(propyl)amino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]carbamate is sourced from PubChem (CID 155371988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).