methyl N-[(2S)-2-amino-3,3-diphenylpropanoyl]-N-[2-[2-[(2R,5R)-5-[(phenylcarbamoylamino)methyl]morpholin-2-yl]ethyl]phenyl]carbamate

C37H41N5O5 — CID 90279067

About methyl N-[(2S)-2-amino-3,3-diphenylpropanoyl]-N-[2-[2-[(2R,5R)-5-[(phenylcarbamoylamino)methyl]morpholin-2-yl]ethyl]phenyl]carbamate

methyl N-[(2S)-2-amino-3,3-diphenylpropanoyl]-N-[2-[2-[(2R,5R)-5-[(phenylcarbamoylamino)methyl]morpholin-2-yl]ethyl]phenyl]carbamate (PubChem CID 90279067) has the molecular formula C37H41N5O5 and a molecular weight of 635.77 g/mol. Its IUPAC name is methyl N-[(2S)-2-amino-3,3-diphenylpropanoyl]-N-[2-[2-[(2R,5R)-5-[(phenylcarbamoylamino)methyl]morpholin-2-yl]ethyl]phenyl]carbamate.

Molecular Properties

• Compound Name: methyl N-[(2S)-2-amino-3,3-diphenylpropanoyl]-N-[2-[2-[(2R,5R)-5-[(phenylcarbamoylamino)methyl]morpholin-2-yl]ethyl]phenyl]carbamate
• PubChem CID: 90279067
• Molecular Formula: C37H41N5O5
• Molecular Weight: 635.77 g/mol
• Exact Mass: 635.31
• IUPAC Name: methyl N-[(2S)-2-amino-3,3-diphenylpropanoyl]-N-[2-[2-[(2R,5R)-5-[(phenylcarbamoylamino)methyl]morpholin-2-yl]ethyl]phenyl]carbamate
• SMILES: COC(=O)N(C(=O)[C@@H](N)C(c1ccccc1)c1ccccc1)c1ccccc1CC[C@@H]1CN[C@H](CNC(=O)Nc2ccccc2)CO1
• InChI: InChI=1S/C37H41N5O5/c1-46-37(45)42(35(43)34(38)33(27-14-5-2-6-15-27)28-16-7-3-8-17-28)32-20-12-11-13-26(32)21-22-31-24-39-30(25-47-31)23-40-36(44)41-29-18-9-4-10-19-29/h2-20,30-31,33-34,39H,21-25,38H2,1H3,(H2,40,41,44)/t30-,31-,34+/m1/s1
• InChIKey: LYZGSNQDBRZIED-PSUXHBTPSA-N
• XLogP: 5.06
• TPSA: 135.02 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	635.77
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-2-amino-3,3-diphenylpropanoyl]-N-[2-[2-[(2R,5R)-5-[(phenylcarbamoylamino)methyl]morpholin-2-yl]ethyl]phenyl]carbamate?

The IUPAC name of methyl N-[(2S)-2-amino-3,3-diphenylpropanoyl]-N-[2-[2-[(2R,5R)-5-[(phenylcarbamoylamino)methyl]morpholin-2-yl]ethyl]phenyl]carbamate (CID 90279067) is methyl N-[(2S)-2-amino-3,3-diphenylpropanoyl]-N-[2-[2-[(2R,5R)-5-[(phenylcarbamoylamino)methyl]morpholin-2-yl]ethyl]phenyl]carbamate.

What is the SMILES notation for methyl N-[(2S)-2-amino-3,3-diphenylpropanoyl]-N-[2-[2-[(2R,5R)-5-[(phenylcarbamoylamino)methyl]morpholin-2-yl]ethyl]phenyl]carbamate?

The canonical SMILES for methyl N-[(2S)-2-amino-3,3-diphenylpropanoyl]-N-[2-[2-[(2R,5R)-5-[(phenylcarbamoylamino)methyl]morpholin-2-yl]ethyl]phenyl]carbamate is COC(=O)N(C(=O)[C@@H](N)C(c1ccccc1)c1ccccc1)c1ccccc1CC[C@@H]1CN[C@H](CNC(=O)Nc2ccccc2)CO1.

What is the InChIKey of methyl N-[(2S)-2-amino-3,3-diphenylpropanoyl]-N-[2-[2-[(2R,5R)-5-[(phenylcarbamoylamino)methyl]morpholin-2-yl]ethyl]phenyl]carbamate?

The InChIKey is LYZGSNQDBRZIED-PSUXHBTPSA-N. The full InChI is InChI=1S/C37H41N5O5/c1-46-37(45)42(35(43)34(38)33(27-14-5-2-6-15-27)28-16-7-3-8-17-28)32-20-12-11-13-26(32)21-22-31-24-39-30(25-47-31)23-40-36(44)41-29-18-9-4-10-19-29/h2-20,30-31,33-34,39H,21-25,38H2,1H3,(H2,40,41,44)/t30-,31-,34+/m1/s1.

What are the key properties of methyl N-[(2S)-2-amino-3,3-diphenylpropanoyl]-N-[2-[2-[(2R,5R)-5-[(phenylcarbamoylamino)methyl]morpholin-2-yl]ethyl]phenyl]carbamate?

methyl N-[(2S)-2-amino-3,3-diphenylpropanoyl]-N-[2-[2-[(2R,5R)-5-[(phenylcarbamoylamino)methyl]morpholin-2-yl]ethyl]phenyl]carbamate has a molecular weight of 635.77 g/mol, XLogP of 5.06, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[(2S)-2-amino-3,3-diphenylpropanoyl]-N-[2-[2-[(2R,5R)-5-[(phenylcarbamoylamino)methyl]morpholin-2-yl]ethyl]phenyl]carbamate is sourced from PubChem (CID 90279067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).