N-[(2R,4S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-4-phenylpentan-2-yl]-4-(2-chlorophenyl)benzamide;N-[(2S,4S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-4-phenylpentan-2-yl]-4-(2-chlorophenyl)benzamide

C70H64Cl2N6O8 — CID 159035593

About N-[(2R,4S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-4-phenylpentan-2-yl]-4-(2-chlorophenyl)benzamide;N-[(2S,4S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-4-phenylpentan-2-yl]-4-(2-chlorophenyl)benzamide

N-[(2R,4S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-4-phenylpentan-2-yl]-4-(2-chlorophenyl)benzamide;N-[(2S,4S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-4-phenylpentan-2-yl]-4-(2-chlorophenyl)benzamide (PubChem CID 159035593) has the molecular formula C70H64Cl2N6O8 and a molecular weight of 1188.22 g/mol. Its IUPAC name is N-[(2R,4S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-4-phenylpentan-2-yl]-4-(2-chlorophenyl)benzamide;N-[(2S,4S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-4-phenylpentan-2-yl]-4-(2-chlorophenyl)benzamide.

Molecular Properties

• Compound Name: N-[(2R,4S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-4-phenylpentan-2-yl]-4-(2-chlorophenyl)benzamide;N-[(2S,4S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-4-phenylpentan-2-yl]-4-(2-chlorophenyl)benzamide
• PubChem CID: 159035593
• Molecular Formula: C70H64Cl2N6O8
• Molecular Weight: 1188.22 g/mol
• Exact Mass: 1186.42
• IUPAC Name: N-[(2R,4S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-4-phenylpentan-2-yl]-4-(2-chlorophenyl)benzamide;N-[(2S,4S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-4-phenylpentan-2-yl]-4-(2-chlorophenyl)benzamide
• SMILES: CC[C@H](NC(=O)[C@@H](C[C@H](C)c1ccccc1)NC(=O)c1ccc(-c2ccccc2Cl)cc1)C(=O)c1nc2ccccc2o1.CC[C@H](NC(=O)[C@H](C[C@H](C)c1ccccc1)NC(=O)c1ccc(-c2ccccc2Cl)cc1)C(=O)c1nc2ccccc2o1
• InChI: InChI=1S/2C35H32ClN3O4/c2*1-3-28(32(40)35-39-29-15-9-10-16-31(29)43-35)37-34(42)30(21-22(2)23-11-5-4-6-12-23)38-33(41)25-19-17-24(18-20-25)26-13-7-8-14-27(26)36/h2*4-20,22,28,30H,3,21H2,1-2H3,(H,37,42)(H,38,41)/t22-,28-,30+;22-,28-,30-/m00/s1
• InChIKey: JVKOCCYTGNJVPL-DJYKDPPHSA-N
• XLogP: 14.44
• TPSA: 202.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 22
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1188.22
LogP ≤ 5	14.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-4-phenylpentan-2-yl]-4-(2-chlorophenyl)benzamide;N-[(2S,4S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-4-phenylpentan-2-yl]-4-(2-chlorophenyl)benzamide?

The IUPAC name of N-[(2R,4S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-4-phenylpentan-2-yl]-4-(2-chlorophenyl)benzamide;N-[(2S,4S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-4-phenylpentan-2-yl]-4-(2-chlorophenyl)benzamide (CID 159035593) is N-[(2R,4S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-4-phenylpentan-2-yl]-4-(2-chlorophenyl)benzamide;N-[(2S,4S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-4-phenylpentan-2-yl]-4-(2-chlorophenyl)benzamide.

What is the SMILES notation for N-[(2R,4S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-4-phenylpentan-2-yl]-4-(2-chlorophenyl)benzamide;N-[(2S,4S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-4-phenylpentan-2-yl]-4-(2-chlorophenyl)benzamide?

The canonical SMILES for N-[(2R,4S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-4-phenylpentan-2-yl]-4-(2-chlorophenyl)benzamide;N-[(2S,4S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-4-phenylpentan-2-yl]-4-(2-chlorophenyl)benzamide is CC[C@H](NC(=O)[C@@H](C[C@H](C)c1ccccc1)NC(=O)c1ccc(-c2ccccc2Cl)cc1)C(=O)c1nc2ccccc2o1.CC[C@H](NC(=O)[C@H](C[C@H](C)c1ccccc1)NC(=O)c1ccc(-c2ccccc2Cl)cc1)C(=O)c1nc2ccccc2o1.

What is the InChIKey of N-[(2R,4S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-4-phenylpentan-2-yl]-4-(2-chlorophenyl)benzamide;N-[(2S,4S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-4-phenylpentan-2-yl]-4-(2-chlorophenyl)benzamide?

The InChIKey is JVKOCCYTGNJVPL-DJYKDPPHSA-N. The full InChI is InChI=1S/2C35H32ClN3O4/c2*1-3-28(32(40)35-39-29-15-9-10-16-31(29)43-35)37-34(42)30(21-22(2)23-11-5-4-6-12-23)38-33(41)25-19-17-24(18-20-25)26-13-7-8-14-27(26)36/h2*4-20,22,28,30H,3,21H2,1-2H3,(H,37,42)(H,38,41)/t22-,28-,30+;22-,28-,30-/m00/s1.

What are the key properties of N-[(2R,4S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-4-phenylpentan-2-yl]-4-(2-chlorophenyl)benzamide;N-[(2S,4S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-4-phenylpentan-2-yl]-4-(2-chlorophenyl)benzamide?

N-[(2R,4S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-4-phenylpentan-2-yl]-4-(2-chlorophenyl)benzamide;N-[(2S,4S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-4-phenylpentan-2-yl]-4-(2-chlorophenyl)benzamide has a molecular weight of 1188.22 g/mol, XLogP of 14.44, 22 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,4S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-4-phenylpentan-2-yl]-4-(2-chlorophenyl)benzamide;N-[(2S,4S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-4-phenylpentan-2-yl]-4-(2-chlorophenyl)benzamide is sourced from PubChem (CID 159035593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).