CID 168915455

C19H44N5O4Sb — CID 168915455

IUPAC—
SMILESCCCN.CCC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)CNC)C(N)=O.CO.C[Sb]
InChIInChI=1S/C14H28N4O3.C3H9N.CH4O.CH3.Sb/c1-5-6-10(13(15)20)18-14(21)11(7-9(2)3)17-12(19)8-16-4;1-2-3-4;1-2;;/h9-11,16H,5-8H2,1-4H3,(H2,15,20)(H,17,19)(H,18,21);2-4H2,1H3;2H,1H3;1H3;/t10-,11+;;;;/m0..../s1
InChIKeySYESAJYAQFZZMX-OSNOYMCCSA-N
MW528.35 g/mol
LogP-0.33
Rot. Bonds11

About CID 168915455

CID 168915455 (PubChem CID 168915455) has the molecular formula C19H44N5O4Sb and a molecular weight of 528.35 g/mol.

Molecular Properties

Compound NameCID 168915455
PubChem CID168915455
Molecular FormulaC19H44N5O4Sb
Molecular Weight528.35 g/mol
Exact Mass527.24
IUPAC Name—
SMILESCCCN.CCC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)CNC)C(N)=O.CO.C[Sb]
InChIInChI=1S/C14H28N4O3.C3H9N.CH4O.CH3.Sb/c1-5-6-10(13(15)20)18-14(21)11(7-9(2)3)17-12(19)8-16-4;1-2-3-4;1-2;;/h9-11,16H,5-8H2,1-4H3,(H2,15,20)(H,17,19)(H,18,21);2-4H2,1H3;2H,1H3;1H3;/t10-,11+;;;;/m0..../s1
InChIKeySYESAJYAQFZZMX-OSNOYMCCSA-N
XLogP-0.33
TPSA159.57 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.35
LogP ≤ 5-0.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexadecanamide
CID 46865330
(2S)-2-[[(2S)-5-amino-2-(butanoylamino)pentanoyl]amino]-4-methylpentanamide
CID 138591148
2-(2-formamidopentanoylamino)-4-methylpentanamide
CID 130441873
(2S)-N-(1-amino-1-oxopentan-2-yl)-2-[(4-bromophenyl)carbamoylamino]-4-methylpentanamide
CID 71525827
(2S)-N-[(2S)-1-amino-1-oxopentan-2-yl]-2-[[(2S)-2-[3-[[2-[(3-amino-3-oxopropyl)sulfanylmethyl]phenyl]methylsulfanyl]propanoylamino]propanoyl]amino]-4-methylpentanamide
CID 170257531
(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(2-sulfanylacetyl)amino]pentanoyl]amino]pentanamide
CID 46882769
methyl 4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoate
CID 43229599
4-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-methylpentanoylamino)pentanamide
CID 144649100
methyl-[[(2S)-2-[[(2S)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]pentanoyl]amino]oxyphosphinic acid
CID 88759256
(2S)-2,6-diamino-N-[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexanamide
CID 10329066
N-[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexadecanamide
CID 10129417
(4S)-4-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-4-methyl-2-(tridecanoylamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
CID 10171146

Frequently Asked Questions

What is the IUPAC name of CID 168915455?
The IUPAC name of CID 168915455 (CID 168915455) is not available.
What is the SMILES notation for CID 168915455?
The canonical SMILES for CID 168915455 is CCCN.CCC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)CNC)C(N)=O.CO.C[Sb].
What is the InChIKey of CID 168915455?
The InChIKey is SYESAJYAQFZZMX-OSNOYMCCSA-N. The full InChI is InChI=1S/C14H28N4O3.C3H9N.CH4O.CH3.Sb/c1-5-6-10(13(15)20)18-14(21)11(7-9(2)3)17-12(19)8-16-4;1-2-3-4;1-2;;/h9-11,16H,5-8H2,1-4H3,(H2,15,20)(H,17,19)(H,18,21);2-4H2,1H3;2H,1H3;1H3;/t10-,11+;;;;/m0..../s1.
What are the key properties of CID 168915455?
CID 168915455 has a molecular weight of 528.35 g/mol, XLogP of -0.33, 11 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168915455 is sourced from PubChem (CID 168915455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).