(2S)-2-amino-N-[2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]diselanyl]phenyl]-4-methylpentanamide

C24H34N4O2Se2 — CID 24862332

IUPAC(2S)-2-amino-N-[2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]diselanyl]phenyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccccc1[Se][Se]c1ccccc1NC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C24H34N4O2Se2/c1-15(2)13-17(25)23(29)27-19-9-5-7-11-21(19)31-32-22-12-8-6-10-20(22)28-24(30)18(26)14-16(3)4/h5-12,15-18H,13-14,25-26H2,1-4H3,(H,27,29)(H,28,30)/t17-,18-/m0/s1
InChIKeyFZUXFCUSGKHYJP-ROUUACIJSA-N
MW568.48 g/mol
LogP1.58
Rot. Bonds11

About (2S)-2-amino-N-[2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]diselanyl]phenyl]-4-methylpentanamide

(2S)-2-amino-N-[2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]diselanyl]phenyl]-4-methylpentanamide (PubChem CID 24862332) has the molecular formula C24H34N4O2Se2 and a molecular weight of 568.48 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]diselanyl]phenyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]diselanyl]phenyl]-4-methylpentanamide
PubChem CID24862332
Molecular FormulaC24H34N4O2Se2
Molecular Weight568.48 g/mol
Exact Mass570.10
IUPAC Name(2S)-2-amino-N-[2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]diselanyl]phenyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccccc1[Se][Se]c1ccccc1NC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C24H34N4O2Se2/c1-15(2)13-17(25)23(29)27-19-9-5-7-11-21(19)31-32-22-12-8-6-10-20(22)28-24(30)18(26)14-16(3)4/h5-12,15-18H,13-14,25-26H2,1-4H3,(H,27,29)(H,28,30)/t17-,18-/m0/s1
InChIKeyFZUXFCUSGKHYJP-ROUUACIJSA-N
XLogP1.58
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.48
LogP ≤ 51.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-methyl-N-(2-propan-2-ylphenyl)pentanamide
CID 24703772
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide
CID 22691032
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide;hydrochloride
CID 119670479
2-[(2-amino-4-methylpentanoyl)amino]benzamide
CID 24702801
2-amino-4-methyl-N-(2-propylphenyl)pentanamide
CID 43703952
(2R)-2-amino-N-(2-cyanophenyl)-4-methylpentanamide
CID 104902583
(2S)-2-amino-N-(2-tert-butylphenyl)-4-methylpentanamide;hydrochloride
CID 119399943
(2S)-N-(3-acetamido-2-methylphenyl)-2-amino-4-methylpentanamide
CID 119704819
ethyl 2-[(2-amino-4-methylpentanoyl)amino]benzoate
CID 61273586
(2R)-2-amino-4-methyl-N-(2-methyl-3-pyridinyl)pentanamide
CID 104903679
2-[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenoxy]acetic acid
CID 63746200
(2R)-2-amino-4-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 104902926

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]diselanyl]phenyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]diselanyl]phenyl]-4-methylpentanamide (CID 24862332) is (2S)-2-amino-N-[2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]diselanyl]phenyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]diselanyl]phenyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]diselanyl]phenyl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)Nc1ccccc1[Se][Se]c1ccccc1NC(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-N-[2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]diselanyl]phenyl]-4-methylpentanamide?
The InChIKey is FZUXFCUSGKHYJP-ROUUACIJSA-N. The full InChI is InChI=1S/C24H34N4O2Se2/c1-15(2)13-17(25)23(29)27-19-9-5-7-11-21(19)31-32-22-12-8-6-10-20(22)28-24(30)18(26)14-16(3)4/h5-12,15-18H,13-14,25-26H2,1-4H3,(H,27,29)(H,28,30)/t17-,18-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]diselanyl]phenyl]-4-methylpentanamide?
(2S)-2-amino-N-[2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]diselanyl]phenyl]-4-methylpentanamide has a molecular weight of 568.48 g/mol, XLogP of 1.58, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]diselanyl]phenyl]-4-methylpentanamide is sourced from PubChem (CID 24862332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).