N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(8-hydroxyquinolin-2-yl)methyl]amino]-2-oxoethyl]-[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-[(8-hydroxyquinolin-2-yl)methyl]amino]-2-oxoethyl]-N-[(2S)-1-methoxypropan-2-yl]-2-[[(1S)-1-phenylethyl]amino]acetamide

C62H78N10O12 — CID 58018109

About N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(8-hydroxyquinolin-2-yl)methyl]amino]-2-oxoethyl]-[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-[(8-hydroxyquinolin-2-yl)methyl]amino]-2-oxoethyl]-N-[(2S)-1-methoxypropan-2-yl]-2-[[(1S)-1-phenylethyl]amino]acetamide

N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(8-hydroxyquinolin-2-yl)methyl]amino]-2-oxoethyl]-[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-[(8-hydroxyquinolin-2-yl)methyl]amino]-2-oxoethyl]-N-[(2S)-1-methoxypropan-2-yl]-2-[[(1S)-1-phenylethyl]amino]acetamide (PubChem CID 58018109) has the molecular formula C62H78N10O12 and a molecular weight of 1155.36 g/mol. Its IUPAC name is N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(8-hydroxyquinolin-2-yl)methyl]amino]-2-oxoethyl]-[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-[(8-hydroxyquinolin-2-yl)methyl]amino]-2-oxoethyl]-N-[(2S)-1-methoxypropan-2-yl]-2-[[(1S)-1-phenylethyl]amino]acetamide.

Molecular Properties

• Compound Name: N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(8-hydroxyquinolin-2-yl)methyl]amino]-2-oxoethyl]-[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-[(8-hydroxyquinolin-2-yl)methyl]amino]-2-oxoethyl]-N-[(2S)-1-methoxypropan-2-yl]-2-[[(1S)-1-phenylethyl]amino]acetamide
• PubChem CID: 58018109
• Molecular Formula: C62H78N10O12
• Molecular Weight: 1155.36 g/mol
• Exact Mass: 1154.58
• IUPAC Name: N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(8-hydroxyquinolin-2-yl)methyl]amino]-2-oxoethyl]-[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-[(8-hydroxyquinolin-2-yl)methyl]amino]-2-oxoethyl]-N-[(2S)-1-methoxypropan-2-yl]-2-[[(1S)-1-phenylethyl]amino]acetamide
• SMILES: COC[C@H](C)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(N)=O)[C@@H](C)c1ccccc1)Cc1ccc2cccc(O)c2n1)[C@@H](C)COC)[C@@H](C)COC)Cc1ccc2cccc(O)c2n1)C(=O)CN[C@@H](C)c1ccccc1
• InChI: InChI=1S/C62H78N10O12/c1-41(38-82-6)69(55(76)29-64-44(4)46-17-11-9-12-18-46)35-56(77)67(30-50-27-25-48-21-15-23-52(73)61(48)65-50)33-58(79)71(43(3)40-84-8)37-60(81)70(42(2)39-83-7)36-57(78)68(31-51-28-26-49-22-16-24-53(74)62(49)66-51)34-59(80)72(32-54(63)75)45(5)47-19-13-10-14-20-47/h9-28,41-45,64,73-74H,29-40H2,1-8H3,(H2,63,75)/t41-,42-,43-,44-,45-/m0/s1
• InChIKey: KOJGICNPJZSQNL-JAUPIYOJSA-N
• XLogP: 4.57
• TPSA: 270.91 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 31
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1155.36
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(8-hydroxyquinolin-2-yl)methyl]amino]-2-oxoethyl]-[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-[(8-hydroxyquinolin-2-yl)methyl]amino]-2-oxoethyl]-N-[(2S)-1-methoxypropan-2-yl]-2-[[(1S)-1-phenylethyl]amino]acetamide?

The IUPAC name of N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(8-hydroxyquinolin-2-yl)methyl]amino]-2-oxoethyl]-[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-[(8-hydroxyquinolin-2-yl)methyl]amino]-2-oxoethyl]-N-[(2S)-1-methoxypropan-2-yl]-2-[[(1S)-1-phenylethyl]amino]acetamide (CID 58018109) is N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(8-hydroxyquinolin-2-yl)methyl]amino]-2-oxoethyl]-[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-[(8-hydroxyquinolin-2-yl)methyl]amino]-2-oxoethyl]-N-[(2S)-1-methoxypropan-2-yl]-2-[[(1S)-1-phenylethyl]amino]acetamide.

What is the SMILES notation for N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(8-hydroxyquinolin-2-yl)methyl]amino]-2-oxoethyl]-[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-[(8-hydroxyquinolin-2-yl)methyl]amino]-2-oxoethyl]-N-[(2S)-1-methoxypropan-2-yl]-2-[[(1S)-1-phenylethyl]amino]acetamide?

The canonical SMILES for N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(8-hydroxyquinolin-2-yl)methyl]amino]-2-oxoethyl]-[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-[(8-hydroxyquinolin-2-yl)methyl]amino]-2-oxoethyl]-N-[(2S)-1-methoxypropan-2-yl]-2-[[(1S)-1-phenylethyl]amino]acetamide is COC[C@H](C)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(N)=O)[C@@H](C)c1ccccc1)Cc1ccc2cccc(O)c2n1)[C@@H](C)COC)[C@@H](C)COC)Cc1ccc2cccc(O)c2n1)C(=O)CN[C@@H](C)c1ccccc1.

What is the InChIKey of N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(8-hydroxyquinolin-2-yl)methyl]amino]-2-oxoethyl]-[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-[(8-hydroxyquinolin-2-yl)methyl]amino]-2-oxoethyl]-N-[(2S)-1-methoxypropan-2-yl]-2-[[(1S)-1-phenylethyl]amino]acetamide?

The InChIKey is KOJGICNPJZSQNL-JAUPIYOJSA-N. The full InChI is InChI=1S/C62H78N10O12/c1-41(38-82-6)69(55(76)29-64-44(4)46-17-11-9-12-18-46)35-56(77)67(30-50-27-25-48-21-15-23-52(73)61(48)65-50)33-58(79)71(43(3)40-84-8)37-60(81)70(42(2)39-83-7)36-57(78)68(31-51-28-26-49-22-16-24-53(74)62(49)66-51)34-59(80)72(32-54(63)75)45(5)47-19-13-10-14-20-47/h9-28,41-45,64,73-74H,29-40H2,1-8H3,(H2,63,75)/t41-,42-,43-,44-,45-/m0/s1.

What are the key properties of N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(8-hydroxyquinolin-2-yl)methyl]amino]-2-oxoethyl]-[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-[(8-hydroxyquinolin-2-yl)methyl]amino]-2-oxoethyl]-N-[(2S)-1-methoxypropan-2-yl]-2-[[(1S)-1-phenylethyl]amino]acetamide?

N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(8-hydroxyquinolin-2-yl)methyl]amino]-2-oxoethyl]-[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-[(8-hydroxyquinolin-2-yl)methyl]amino]-2-oxoethyl]-N-[(2S)-1-methoxypropan-2-yl]-2-[[(1S)-1-phenylethyl]amino]acetamide has a molecular weight of 1155.36 g/mol, XLogP of 4.57, 31 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(8-hydroxyquinolin-2-yl)methyl]amino]-2-oxoethyl]-[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-[(8-hydroxyquinolin-2-yl)methyl]amino]-2-oxoethyl]-N-[(2S)-1-methoxypropan-2-yl]-2-[[(1S)-1-phenylethyl]amino]acetamide is sourced from PubChem (CID 58018109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).