(Z)-N-[4-[[(2S)-2,3-diaminopropanoyl]-[3-[[(Z)-hept-4-enoyl]amino]propyl]amino]butyl]hept-4-enamide

C24H45N5O3 — CID 57824315

IUPAC(Z)-N-[4-[[(2S)-2,3-diaminopropanoyl]-[3-[[(Z)-hept-4-enoyl]amino]propyl]amino]butyl]hept-4-enamide
SMILESCC/C=C\CCC(=O)NCCCCN(CCCNC(=O)CC/C=C\CC)C(=O)[C@H](CN)N
InChIInChI=1S/C24H45N5O3/c1-3-5-7-9-14-22(30)27-16-11-12-18-29(24(32)21(26)20-25)19-13-17-28-23(31)15-10-8-6-4-2/h5-8,21H,3-4,9-20,25-26H2,1-2H3,(H,27,30)(H,28,31)/b7-5-,8-6-/t21-/m0/s1
InChIKeyKCEZVJOOXINYAU-WUEFALNCSA-N
MW451.60 g/mol
LogP1.00
Rot. Bonds19

About (Z)-N-[4-[[(2S)-2,3-diaminopropanoyl]-[3-[[(Z)-hept-4-enoyl]amino]propyl]amino]butyl]hept-4-enamide

(Z)-N-[4-[[(2S)-2,3-diaminopropanoyl]-[3-[[(Z)-hept-4-enoyl]amino]propyl]amino]butyl]hept-4-enamide (PubChem CID 57824315) has the molecular formula C24H45N5O3 and a molecular weight of 451.60 g/mol. Its IUPAC name is (Z)-N-[4-[[(2S)-2,3-diaminopropanoyl]-[3-[[(Z)-hept-4-enoyl]amino]propyl]amino]butyl]hept-4-enamide.

Molecular Properties

Compound Name(Z)-N-[4-[[(2S)-2,3-diaminopropanoyl]-[3-[[(Z)-hept-4-enoyl]amino]propyl]amino]butyl]hept-4-enamide
PubChem CID57824315
Molecular FormulaC24H45N5O3
Molecular Weight451.60 g/mol
Exact Mass451.35
IUPAC Name(Z)-N-[4-[[(2S)-2,3-diaminopropanoyl]-[3-[[(Z)-hept-4-enoyl]amino]propyl]amino]butyl]hept-4-enamide
SMILESCC/C=C\CCC(=O)NCCCCN(CCCNC(=O)CC/C=C\CC)C(=O)[C@H](CN)N
InChIInChI=1S/C24H45N5O3/c1-3-5-7-9-14-22(30)27-16-11-12-18-29(24(32)21(26)20-25)19-13-17-28-23(31)15-10-8-6-4-2/h5-8,21H,3-4,9-20,25-26H2,1-2H3,(H,27,30)(H,28,31)/b7-5-,8-6-/t21-/m0/s1
InChIKeyKCEZVJOOXINYAU-WUEFALNCSA-N
XLogP1.00
TPSA131.00 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms32
Complexity578

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.60
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 53374072
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CID 132092762
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CID 155293166
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CID 155293215
CID 155293215
CID 13994612
CID 13994612
CID 5387595
CID 5387595
CID 139594204
CID 139594204
CID 139594921
CID 139594921
CID 90008859
CID 90008859
CID 134836525
CID 134836525
CID 13994608
CID 13994608

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[4-[[(2S)-2,3-diaminopropanoyl]-[3-[[(Z)-hept-4-enoyl]amino]propyl]amino]butyl]hept-4-enamide?
The IUPAC name of (Z)-N-[4-[[(2S)-2,3-diaminopropanoyl]-[3-[[(Z)-hept-4-enoyl]amino]propyl]amino]butyl]hept-4-enamide (CID 57824315) is (Z)-N-[4-[[(2S)-2,3-diaminopropanoyl]-[3-[[(Z)-hept-4-enoyl]amino]propyl]amino]butyl]hept-4-enamide.
What is the SMILES notation for (Z)-N-[4-[[(2S)-2,3-diaminopropanoyl]-[3-[[(Z)-hept-4-enoyl]amino]propyl]amino]butyl]hept-4-enamide?
The canonical SMILES for (Z)-N-[4-[[(2S)-2,3-diaminopropanoyl]-[3-[[(Z)-hept-4-enoyl]amino]propyl]amino]butyl]hept-4-enamide is CC/C=C\CCC(=O)NCCCCN(CCCNC(=O)CC/C=C\CC)C(=O)[C@H](CN)N.
What is the InChIKey of (Z)-N-[4-[[(2S)-2,3-diaminopropanoyl]-[3-[[(Z)-hept-4-enoyl]amino]propyl]amino]butyl]hept-4-enamide?
The InChIKey is KCEZVJOOXINYAU-WUEFALNCSA-N. The full InChI is InChI=1S/C24H45N5O3/c1-3-5-7-9-14-22(30)27-16-11-12-18-29(24(32)21(26)20-25)19-13-17-28-23(31)15-10-8-6-4-2/h5-8,21H,3-4,9-20,25-26H2,1-2H3,(H,27,30)(H,28,31)/b7-5-,8-6-/t21-/m0/s1.
What are the key properties of (Z)-N-[4-[[(2S)-2,3-diaminopropanoyl]-[3-[[(Z)-hept-4-enoyl]amino]propyl]amino]butyl]hept-4-enamide?
(Z)-N-[4-[[(2S)-2,3-diaminopropanoyl]-[3-[[(Z)-hept-4-enoyl]amino]propyl]amino]butyl]hept-4-enamide has a molecular weight of 451.60 g/mol, XLogP of 1.00, 19 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[4-[[(2S)-2,3-diaminopropanoyl]-[3-[[(Z)-hept-4-enoyl]amino]propyl]amino]butyl]hept-4-enamide is sourced from PubChem (CID 57824315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).