(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylselanyl-N-[(2S)-1-oxopropan-2-yl]butanamide

C20H36N6O6Se — CID 102515548

IUPAC(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylselanyl-N-[(2S)-1-oxopropan-2-yl]butanamide
SMILESC[Se]CC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C=O
InChIInChI=1S/C20H36N6O6Se/c1-10(9-27)22-20(32)15(7-8-33-6)26-19(31)14(5)25-18(30)13(4)24-17(29)12(3)23-16(28)11(2)21/h9-15H,7-8,21H2,1-6H3,(H,22,32)(H,23,28)(H,24,29)(H,25,30)(H,26,31)/t10-,11-,12-,13-,14-,15-/m0/s1
InChIKeyJVRLZBBPKOOMPI-LZXPERKUSA-N
MW535.50 g/mol
LogP-2.40
Rot. Bonds14

About (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylselanyl-N-[(2S)-1-oxopropan-2-yl]butanamide

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylselanyl-N-[(2S)-1-oxopropan-2-yl]butanamide (PubChem CID 102515548) has the molecular formula C20H36N6O6Se and a molecular weight of 535.50 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylselanyl-N-[(2S)-1-oxopropan-2-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylselanyl-N-[(2S)-1-oxopropan-2-yl]butanamide
PubChem CID102515548
Molecular FormulaC20H36N6O6Se
Molecular Weight535.50 g/mol
Exact Mass536.19
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylselanyl-N-[(2S)-1-oxopropan-2-yl]butanamide
SMILESC[Se]CC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C=O
InChIInChI=1S/C20H36N6O6Se/c1-10(9-27)22-20(32)15(7-8-33-6)26-19(31)14(5)25-18(30)13(4)24-17(29)12(3)23-16(28)11(2)21/h9-15H,7-8,21H2,1-6H3,(H,22,32)(H,23,28)(H,24,29)(H,25,30)(H,26,31)/t10-,11-,12-,13-,14-,15-/m0/s1
InChIKeyJVRLZBBPKOOMPI-LZXPERKUSA-N
XLogP-2.40
TPSA188.59 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.50
LogP ≤ 5-2.40
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylselanyl-N-[(2S)-1-oxopropan-2-yl]butanamide with MolForge

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Related Compounds

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-hydroxy-N-[(2S)-1-oxopropan-2-yl]propanamide
CID 25203952
2,3-diamino-N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]propanamide
CID 11949429
(2R)-2-[[(2S)-2-aminopropanoyl]amino]-N'-[(2S)-1-oxopropan-2-yl]pentanediamide
CID 173443479
2-[2-[[2-(2-aminopropanoylamino)-3-hydroxypropanoyl]amino]propanoylamino]propanoic acid
CID 18238530
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 71350639
2-acetamido-N-[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]propanamide
CID 163702587
2-acetamido-N-[1-oxo-1-[[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]amino]propan-2-yl]propanamide
CID 173042911
6-amino-2-[[6-amino-2-[2-(2-aminopropanoylamino)propanoylamino]hexanoyl]amino]hexanoic acid
CID 18232813
2-[2-[[2-(2-aminopropanoylamino)-4-methylsulfanylbutanoyl]amino]propanoylamino]propanoic acid
CID 18237338
(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoic acid
CID 134824866
(2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-1-oxopropan-2-yl]propanamide
CID 156587966
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 154573898

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylselanyl-N-[(2S)-1-oxopropan-2-yl]butanamide?
The IUPAC name of (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylselanyl-N-[(2S)-1-oxopropan-2-yl]butanamide (CID 102515548) is (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylselanyl-N-[(2S)-1-oxopropan-2-yl]butanamide.
What is the SMILES notation for (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylselanyl-N-[(2S)-1-oxopropan-2-yl]butanamide?
The canonical SMILES for (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylselanyl-N-[(2S)-1-oxopropan-2-yl]butanamide is C[Se]CC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C=O.
What is the InChIKey of (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylselanyl-N-[(2S)-1-oxopropan-2-yl]butanamide?
The InChIKey is JVRLZBBPKOOMPI-LZXPERKUSA-N. The full InChI is InChI=1S/C20H36N6O6Se/c1-10(9-27)22-20(32)15(7-8-33-6)26-19(31)14(5)25-18(30)13(4)24-17(29)12(3)23-16(28)11(2)21/h9-15H,7-8,21H2,1-6H3,(H,22,32)(H,23,28)(H,24,29)(H,25,30)(H,26,31)/t10-,11-,12-,13-,14-,15-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylselanyl-N-[(2S)-1-oxopropan-2-yl]butanamide?
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylselanyl-N-[(2S)-1-oxopropan-2-yl]butanamide has a molecular weight of 535.50 g/mol, XLogP of -2.40, 14 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylselanyl-N-[(2S)-1-oxopropan-2-yl]butanamide is sourced from PubChem (CID 102515548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).