N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-3-carboxamide

C49H56N6O5 — CID 45378911

IUPACN-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-3-carboxamide
SMILESCN(C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)C1CCCNC1)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
InChIInChI=1S/C49H56N6O5/c1-53(42(45(50)56)30-34-16-7-4-8-17-34)48(59)44(32-36-20-11-6-12-21-36)55(3)49(60)43(31-35-18-9-5-10-19-35)54(2)47(58)41(52-46(57)40-24-15-27-51-33-40)29-37-25-26-38-22-13-14-23-39(38)28-37/h4-14,16-23,25-26,28,40-44,51H,15,24,27,29-33H2,1-3H3,(H2,50,56)(H,52,57)/t40?,41-,42-,43-,44-/m0/s1
InChIKeyFOPKLEIYZNUJNY-SXNPXYAQSA-N
MW809.02 g/mol
LogP4.56
Rot. Bonds17

About N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-3-carboxamide

N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-3-carboxamide (PubChem CID 45378911) has the molecular formula C49H56N6O5 and a molecular weight of 809.02 g/mol. Its IUPAC name is N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-3-carboxamide
PubChem CID45378911
Molecular FormulaC49H56N6O5
Molecular Weight809.02 g/mol
Exact Mass808.43
IUPAC NameN-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-3-carboxamide
SMILESCN(C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)C1CCCNC1)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
InChIInChI=1S/C49H56N6O5/c1-53(42(45(50)56)30-34-16-7-4-8-17-34)48(59)44(32-36-20-11-6-12-21-36)55(3)49(60)43(31-35-18-9-5-10-19-35)54(2)47(58)41(52-46(57)40-24-15-27-51-33-40)29-37-25-26-38-22-13-14-23-39(38)28-37/h4-14,16-23,25-26,28,40-44,51H,15,24,27,29-33H2,1-3H3,(H2,50,56)(H,52,57)/t40?,41-,42-,43-,44-/m0/s1
InChIKeyFOPKLEIYZNUJNY-SXNPXYAQSA-N
XLogP4.56
TPSA145.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms60
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500809.02
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-3-carboxamide?
The IUPAC name of N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-3-carboxamide (CID 45378911) is N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-3-carboxamide is CN(C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)C1CCCNC1)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O.
What is the InChIKey of N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-3-carboxamide?
The InChIKey is FOPKLEIYZNUJNY-SXNPXYAQSA-N. The full InChI is InChI=1S/C49H56N6O5/c1-53(42(45(50)56)30-34-16-7-4-8-17-34)48(59)44(32-36-20-11-6-12-21-36)55(3)49(60)43(31-35-18-9-5-10-19-35)54(2)47(58)41(52-46(57)40-24-15-27-51-33-40)29-37-25-26-38-22-13-14-23-39(38)28-37/h4-14,16-23,25-26,28,40-44,51H,15,24,27,29-33H2,1-3H3,(H2,50,56)(H,52,57)/t40?,41-,42-,43-,44-/m0/s1.
What are the key properties of N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-3-carboxamide?
N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-3-carboxamide has a molecular weight of 809.02 g/mol, XLogP of 4.56, 17 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 45378911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).