(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)hexanamide

C38H50N8O4 — CID 53379739

IUPAC(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)hexanamide
SMILESCC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)NCc1cn2ccccc2n1
InChIInChI=1S/C38H50N8O4/c1-26(2)21-32(37(49)43-31(17-9-11-19-39)36(48)41-24-29-25-46-20-12-10-18-34(46)42-29)45-38(50)33(23-28-15-7-4-8-16-28)44-35(47)30(40)22-27-13-5-3-6-14-27/h3-8,10,12-16,18,20,25-26,30-33H,9,11,17,19,21-24,39-40H2,1-2H3,(H,41,48)(H,43,49)(H,44,47)(H,45,50)/t30-,31-,32-,33-/m1/s1
InChIKeyFXZBRJOYNANDCJ-XEXPGFJZSA-N
MW682.87 g/mol
LogP2.39
Rot. Bonds19

About (2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)hexanamide

(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)hexanamide (PubChem CID 53379739) has the molecular formula C38H50N8O4 and a molecular weight of 682.87 g/mol. Its IUPAC name is (2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)hexanamide.

Molecular Properties

Compound Name(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)hexanamide
PubChem CID53379739
Molecular FormulaC38H50N8O4
Molecular Weight682.87 g/mol
Exact Mass682.40
IUPAC Name(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)hexanamide
SMILESCC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)NCc1cn2ccccc2n1
InChIInChI=1S/C38H50N8O4/c1-26(2)21-32(37(49)43-31(17-9-11-19-39)36(48)41-24-29-25-46-20-12-10-18-34(46)42-29)45-38(50)33(23-28-15-7-4-8-16-28)44-35(47)30(40)22-27-13-5-3-6-14-27/h3-8,10,12-16,18,20,25-26,30-33H,9,11,17,19,21-24,39-40H2,1-2H3,(H,41,48)(H,43,49)(H,44,47)(H,45,50)/t30-,31-,32-,33-/m1/s1
InChIKeyFXZBRJOYNANDCJ-XEXPGFJZSA-N
XLogP2.39
TPSA185.74 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.87
LogP ≤ 52.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)hexanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)hexanamide?
The IUPAC name of (2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)hexanamide (CID 53379739) is (2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)hexanamide.
What is the SMILES notation for (2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)hexanamide?
The canonical SMILES for (2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)hexanamide is CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)NCc1cn2ccccc2n1.
What is the InChIKey of (2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)hexanamide?
The InChIKey is FXZBRJOYNANDCJ-XEXPGFJZSA-N. The full InChI is InChI=1S/C38H50N8O4/c1-26(2)21-32(37(49)43-31(17-9-11-19-39)36(48)41-24-29-25-46-20-12-10-18-34(46)42-29)45-38(50)33(23-28-15-7-4-8-16-28)44-35(47)30(40)22-27-13-5-3-6-14-27/h3-8,10,12-16,18,20,25-26,30-33H,9,11,17,19,21-24,39-40H2,1-2H3,(H,41,48)(H,43,49)(H,44,47)(H,45,50)/t30-,31-,32-,33-/m1/s1.
What are the key properties of (2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)hexanamide?
(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)hexanamide has a molecular weight of 682.87 g/mol, XLogP of 2.39, 19 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)hexanamide is sourced from PubChem (CID 53379739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).