methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2R,4S)-4-[(2R)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2R,4S)-4-[(2S)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2S,4S)-4-[(2R)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2S,4S)-4-[(2S)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate

C148H176Cl4N12O20S4 — CID 160990711

About methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2R,4S)-4-[(2R)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2R,4S)-4-[(2S)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2S,4S)-4-[(2R)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2S,4S)-4-[(2S)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate

methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2R,4S)-4-[(2R)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2R,4S)-4-[(2S)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2S,4S)-4-[(2R)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2S,4S)-4-[(2S)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate (PubChem CID 160990711) has the molecular formula C148H176Cl4N12O20S4 and a molecular weight of 2713.18 g/mol. Its IUPAC name is methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2R,4S)-4-[(2R)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2R,4S)-4-[(2S)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2S,4S)-4-[(2R)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2S,4S)-4-[(2S)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate.

Molecular Properties

• Compound Name: methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2R,4S)-4-[(2R)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2R,4S)-4-[(2S)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2S,4S)-4-[(2R)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2S,4S)-4-[(2S)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate
• PubChem CID: 160990711
• Molecular Formula: C148H176Cl4N12O20S4
• Molecular Weight: 2713.18 g/mol
• Exact Mass: 2709.08
• IUPAC Name: methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2R,4S)-4-[(2R)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2R,4S)-4-[(2S)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2S,4S)-4-[(2R)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2S,4S)-4-[(2S)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate
• SMILES: COC(=O)c1ccc2c(c1)N(C[C@@H]1CC[C@H]1[C@@H]1C[C@@H](O[C@@H](C)CSc3ncccn3)CCO1)C[C@@]1(CCCc3cc(Cl)ccc31)CO2.COC(=O)c1ccc2c(c1)N(C[C@@H]1CC[C@H]1[C@@H]1C[C@@H](O[C@H](C)CSc3ncccn3)CCO1)C[C@@]1(CCCc3cc(Cl)ccc31)CO2.COC(=O)c1ccc2c(c1)N(C[C@@H]1CC[C@H]1[C@H]1C[C@@H](O[C@@H](C)CSc3ncccn3)CCO1)C[C@@]1(CCCc3cc(Cl)ccc31)CO2.COC(=O)c1ccc2c(c1)N(C[C@@H]1CC[C@H]1[C@H]1C[C@@H](O[C@H](C)CSc3ncccn3)CCO1)C[C@@]1(CCCc3cc(Cl)ccc31)CO2
• InChI: InChI=1S/4C37H44ClN3O5S/c4*1-24(21-47-36-39-14-4-15-40-36)46-29-12-16-44-34(19-29)30-9-6-27(30)20-41-22-37(13-3-5-25-17-28(38)8-10-31(25)37)23-45-33-11-7-26(18-32(33)41)35(42)43-2/h4*4,7-8,10-11,14-15,17-18,24,27,29-30,34H,3,5-6,9,12-13,16,19-23H2,1-2H3/t24-,27+,29+,30-,34+,37+;24-,27+,29+,30-,34-,37+;24-,27-,29-,30+,34+,37-;24-,27-,29-,30+,34-,37-/m1100/s1
• InChIKey: TUOWWZBUGBGASU-ZKEQVXFJSA-N
• XLogP: 28.64
• TPSA: 332.04 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 36
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2713.18
LogP ≤ 5	28.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2R,4S)-4-[(2R)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2R,4S)-4-[(2S)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2S,4S)-4-[(2R)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2S,4S)-4-[(2S)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate?

The IUPAC name of methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2R,4S)-4-[(2R)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2R,4S)-4-[(2S)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2S,4S)-4-[(2R)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2S,4S)-4-[(2S)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate (CID 160990711) is methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2R,4S)-4-[(2R)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2R,4S)-4-[(2S)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2S,4S)-4-[(2R)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2S,4S)-4-[(2S)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate.

What is the SMILES notation for methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2R,4S)-4-[(2R)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2R,4S)-4-[(2S)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2S,4S)-4-[(2R)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2S,4S)-4-[(2S)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate?

The canonical SMILES for methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2R,4S)-4-[(2R)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2R,4S)-4-[(2S)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2S,4S)-4-[(2R)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2S,4S)-4-[(2S)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate is COC(=O)c1ccc2c(c1)N(C[C@@H]1CC[C@H]1[C@@H]1C[C@@H](O[C@@H](C)CSc3ncccn3)CCO1)C[C@@]1(CCCc3cc(Cl)ccc31)CO2.COC(=O)c1ccc2c(c1)N(C[C@@H]1CC[C@H]1[C@@H]1C[C@@H](O[C@H](C)CSc3ncccn3)CCO1)C[C@@]1(CCCc3cc(Cl)ccc31)CO2.COC(=O)c1ccc2c(c1)N(C[C@@H]1CC[C@H]1[C@H]1C[C@@H](O[C@@H](C)CSc3ncccn3)CCO1)C[C@@]1(CCCc3cc(Cl)ccc31)CO2.COC(=O)c1ccc2c(c1)N(C[C@@H]1CC[C@H]1[C@H]1C[C@@H](O[C@H](C)CSc3ncccn3)CCO1)C[C@@]1(CCCc3cc(Cl)ccc31)CO2.

What is the InChIKey of methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2R,4S)-4-[(2R)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2R,4S)-4-[(2S)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2S,4S)-4-[(2R)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2S,4S)-4-[(2S)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate?

The InChIKey is TUOWWZBUGBGASU-ZKEQVXFJSA-N. The full InChI is InChI=1S/4C37H44ClN3O5S/c4*1-24(21-47-36-39-14-4-15-40-36)46-29-12-16-44-34(19-29)30-9-6-27(30)20-41-22-37(13-3-5-25-17-28(38)8-10-31(25)37)23-45-33-11-7-26(18-32(33)41)35(42)43-2/h4*4,7-8,10-11,14-15,17-18,24,27,29-30,34H,3,5-6,9,12-13,16,19-23H2,1-2H3/t24-,27+,29+,30-,34+,37+;24-,27+,29+,30-,34-,37+;24-,27-,29-,30+,34+,37-;24-,27-,29-,30+,34-,37-/m1100/s1.

What are the key properties of methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2R,4S)-4-[(2R)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2R,4S)-4-[(2S)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2S,4S)-4-[(2R)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2S,4S)-4-[(2S)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate?

methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2R,4S)-4-[(2R)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2R,4S)-4-[(2S)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2S,4S)-4-[(2R)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2S,4S)-4-[(2S)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate has a molecular weight of 2713.18 g/mol, XLogP of 28.64, 36 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2R,4S)-4-[(2R)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2R,4S)-4-[(2S)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2S,4S)-4-[(2R)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate;methyl (4S)-7-chloro-5'-[[(1R,2R)-2-[(2S,4S)-4-[(2S)-1-pyrimidin-2-ylsulfanylpropan-2-yl]oxyoxan-2-yl]cyclobutyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1,5-benzoxazepine]-7'-carboxylate is sourced from PubChem (CID 160990711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).