(2R)-N-[(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methyl-2-[(2,2,2-triphenylacetyl)amino]pentanamide

C49H55N5O5 — CID 11636383

IUPAC(2R)-N-[(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methyl-2-[(2,2,2-triphenylacetyl)amino]pentanamide
SMILESCC(C)C[C@@H](NC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O)C(C)C
InChIInChI=1S/C49H55N5O5/c1-33(2)30-41(53-48(59)49(37-24-14-7-15-25-37,38-26-16-8-17-27-38)39-28-18-9-19-29-39)46(57)54-43(34(3)4)47(58)52-42(32-36-22-12-6-13-23-36)45(56)51-40(44(50)55)31-35-20-10-5-11-21-35/h5-29,33-34,40-43H,30-32H2,1-4H3,(H2,50,55)(H,51,56)(H,52,58)(H,53,59)(H,54,57)/t40-,41-,42-,43-/m1/s1
InChIKeyPXVQBJIBSYEMCU-MRWFHJSOSA-N
MW794.01 g/mol
LogP5.63
Rot. Bonds19

About (2R)-N-[(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methyl-2-[(2,2,2-triphenylacetyl)amino]pentanamide

(2R)-N-[(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methyl-2-[(2,2,2-triphenylacetyl)amino]pentanamide (PubChem CID 11636383) has the molecular formula C49H55N5O5 and a molecular weight of 794.01 g/mol. Its IUPAC name is (2R)-N-[(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methyl-2-[(2,2,2-triphenylacetyl)amino]pentanamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methyl-2-[(2,2,2-triphenylacetyl)amino]pentanamide
PubChem CID11636383
Molecular FormulaC49H55N5O5
Molecular Weight794.01 g/mol
Exact Mass793.42
IUPAC Name(2R)-N-[(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methyl-2-[(2,2,2-triphenylacetyl)amino]pentanamide
SMILESCC(C)C[C@@H](NC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O)C(C)C
InChIInChI=1S/C49H55N5O5/c1-33(2)30-41(53-48(59)49(37-24-14-7-15-25-37,38-26-16-8-17-27-38)39-28-18-9-19-29-39)46(57)54-43(34(3)4)47(58)52-42(32-36-22-12-6-13-23-36)45(56)51-40(44(50)55)31-35-20-10-5-11-21-35/h5-29,33-34,40-43H,30-32H2,1-4H3,(H2,50,55)(H,51,56)(H,52,58)(H,53,59)(H,54,57)/t40-,41-,42-,43-/m1/s1
InChIKeyPXVQBJIBSYEMCU-MRWFHJSOSA-N
XLogP5.63
TPSA159.49 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.01
LogP ≤ 55.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze (2R)-N-[(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methyl-2-[(2,2,2-triphenylacetyl)amino]pentanamide with MolForge

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Launch Full Analysis

Related Compounds

(2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanamide
CID 11739138
(2R)-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2-[(2-hydroxyacetyl)amino]-4-methylpentanamide
CID 11513025
(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid
CID 10282887
(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
CID 10304825
(2S)-4-methyl-2-[[(2S)-3-phenyl-2-[[2-(tritylamino)acetyl]amino]propanoyl]amino]pentanamide
CID 71422059
N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-4-hydroxybenzamide
CID 10305662
(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
CID 10168344
2-[(2-acetamido-3-phenylpropanoyl)amino]-4-methylpentanamide
CID 14703982
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]hexanamide
CID 10100616
benzyl N-[(2S)-1-[[(2S)-1-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 71348774
2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid
CID 18742691
(3S)-3-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
CID 52920853

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methyl-2-[(2,2,2-triphenylacetyl)amino]pentanamide?
The IUPAC name of (2R)-N-[(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methyl-2-[(2,2,2-triphenylacetyl)amino]pentanamide (CID 11636383) is (2R)-N-[(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methyl-2-[(2,2,2-triphenylacetyl)amino]pentanamide.
What is the SMILES notation for (2R)-N-[(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methyl-2-[(2,2,2-triphenylacetyl)amino]pentanamide?
The canonical SMILES for (2R)-N-[(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methyl-2-[(2,2,2-triphenylacetyl)amino]pentanamide is CC(C)C[C@@H](NC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O)C(C)C.
What is the InChIKey of (2R)-N-[(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methyl-2-[(2,2,2-triphenylacetyl)amino]pentanamide?
The InChIKey is PXVQBJIBSYEMCU-MRWFHJSOSA-N. The full InChI is InChI=1S/C49H55N5O5/c1-33(2)30-41(53-48(59)49(37-24-14-7-15-25-37,38-26-16-8-17-27-38)39-28-18-9-19-29-39)46(57)54-43(34(3)4)47(58)52-42(32-36-22-12-6-13-23-36)45(56)51-40(44(50)55)31-35-20-10-5-11-21-35/h5-29,33-34,40-43H,30-32H2,1-4H3,(H2,50,55)(H,51,56)(H,52,58)(H,53,59)(H,54,57)/t40-,41-,42-,43-/m1/s1.
What are the key properties of (2R)-N-[(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methyl-2-[(2,2,2-triphenylacetyl)amino]pentanamide?
(2R)-N-[(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methyl-2-[(2,2,2-triphenylacetyl)amino]pentanamide has a molecular weight of 794.01 g/mol, XLogP of 5.63, 19 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methyl-2-[(2,2,2-triphenylacetyl)amino]pentanamide is sourced from PubChem (CID 11636383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).