tert-butyl N-[2-[2-[2-[2-[2-[3-[2-[[(2R)-5-amino-1-[[4-[(carbamoylamino)methyl]phenyl]methylamino]-1-oxopentan-2-yl]amino]-2-oxo-1-phenylethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate

C43H62N6O10 — CID 171639374

About tert-butyl N-[2-[2-[2-[2-[2-[3-[2-[[(2R)-5-amino-1-[[4-[(carbamoylamino)methyl]phenyl]methylamino]-1-oxopentan-2-yl]amino]-2-oxo-1-phenylethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate

tert-butyl N-[2-[2-[2-[2-[2-[3-[2-[[(2R)-5-amino-1-[[4-[(carbamoylamino)methyl]phenyl]methylamino]-1-oxopentan-2-yl]amino]-2-oxo-1-phenylethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 171639374) has the molecular formula C43H62N6O10 and a molecular weight of 823.00 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-[2-[2-[3-[2-[[(2R)-5-amino-1-[[4-[(carbamoylamino)methyl]phenyl]methylamino]-1-oxopentan-2-yl]amino]-2-oxo-1-phenylethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-[2-[2-[2-[2-[3-[2-[[(2R)-5-amino-1-[[4-[(carbamoylamino)methyl]phenyl]methylamino]-1-oxopentan-2-yl]amino]-2-oxo-1-phenylethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
• PubChem CID: 171639374
• Molecular Formula: C43H62N6O10
• Molecular Weight: 823.00 g/mol
• Exact Mass: 822.45
• IUPAC Name: tert-butyl N-[2-[2-[2-[2-[2-[3-[2-[[(2R)-5-amino-1-[[4-[(carbamoylamino)methyl]phenyl]methylamino]-1-oxopentan-2-yl]amino]-2-oxo-1-phenylethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
• SMILES: CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOc1cccc(C(C(=O)N[C@H](CCCN)C(=O)NCc2ccc(CNC(N)=O)cc2)c2ccccc2)c1
• InChI: InChI=1S/C43H62N6O10/c1-43(2,3)59-42(53)46-19-20-54-21-22-55-23-24-56-25-26-57-27-28-58-36-12-7-11-35(29-36)38(34-9-5-4-6-10-34)40(51)49-37(13-8-18-44)39(50)47-30-32-14-16-33(17-15-32)31-48-41(45)52/h4-7,9-12,14-17,29,37-38H,8,13,18-28,30-31,44H2,1-3H3,(H,46,53)(H,47,50)(H,49,51)(H3,45,48,52)/t37-,38?/m1/s1
• InChIKey: LNFYWHDRZCFZRA-MLPLAHBKSA-N
• XLogP: 3.50
• TPSA: 223.82 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 28
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	823.00
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[2-[2-[2-[3-[2-[[(2R)-5-amino-1-[[4-[(carbamoylamino)methyl]phenyl]methylamino]-1-oxopentan-2-yl]amino]-2-oxo-1-phenylethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?

The IUPAC name of tert-butyl N-[2-[2-[2-[2-[2-[3-[2-[[(2R)-5-amino-1-[[4-[(carbamoylamino)methyl]phenyl]methylamino]-1-oxopentan-2-yl]amino]-2-oxo-1-phenylethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate (CID 171639374) is tert-butyl N-[2-[2-[2-[2-[2-[3-[2-[[(2R)-5-amino-1-[[4-[(carbamoylamino)methyl]phenyl]methylamino]-1-oxopentan-2-yl]amino]-2-oxo-1-phenylethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate.

What is the SMILES notation for tert-butyl N-[2-[2-[2-[2-[2-[3-[2-[[(2R)-5-amino-1-[[4-[(carbamoylamino)methyl]phenyl]methylamino]-1-oxopentan-2-yl]amino]-2-oxo-1-phenylethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?

The canonical SMILES for tert-butyl N-[2-[2-[2-[2-[2-[3-[2-[[(2R)-5-amino-1-[[4-[(carbamoylamino)methyl]phenyl]methylamino]-1-oxopentan-2-yl]amino]-2-oxo-1-phenylethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate is CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOc1cccc(C(C(=O)N[C@H](CCCN)C(=O)NCc2ccc(CNC(N)=O)cc2)c2ccccc2)c1.

What is the InChIKey of tert-butyl N-[2-[2-[2-[2-[2-[3-[2-[[(2R)-5-amino-1-[[4-[(carbamoylamino)methyl]phenyl]methylamino]-1-oxopentan-2-yl]amino]-2-oxo-1-phenylethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?

The InChIKey is LNFYWHDRZCFZRA-MLPLAHBKSA-N. The full InChI is InChI=1S/C43H62N6O10/c1-43(2,3)59-42(53)46-19-20-54-21-22-55-23-24-56-25-26-57-27-28-58-36-12-7-11-35(29-36)38(34-9-5-4-6-10-34)40(51)49-37(13-8-18-44)39(50)47-30-32-14-16-33(17-15-32)31-48-41(45)52/h4-7,9-12,14-17,29,37-38H,8,13,18-28,30-31,44H2,1-3H3,(H,46,53)(H,47,50)(H,49,51)(H3,45,48,52)/t37-,38?/m1/s1.

What are the key properties of tert-butyl N-[2-[2-[2-[2-[2-[3-[2-[[(2R)-5-amino-1-[[4-[(carbamoylamino)methyl]phenyl]methylamino]-1-oxopentan-2-yl]amino]-2-oxo-1-phenylethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?

tert-butyl N-[2-[2-[2-[2-[2-[3-[2-[[(2R)-5-amino-1-[[4-[(carbamoylamino)methyl]phenyl]methylamino]-1-oxopentan-2-yl]amino]-2-oxo-1-phenylethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 823.00 g/mol, XLogP of 3.50, 28 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[2-[2-[2-[2-[3-[2-[[(2R)-5-amino-1-[[4-[(carbamoylamino)methyl]phenyl]methylamino]-1-oxopentan-2-yl]amino]-2-oxo-1-phenylethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 171639374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).