N-[(2S)-1-[[(2S)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanamide

C24H41N5O6 — CID 156842064

IUPACN-[(2S)-1-[[(2S)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanamide
SMILESCCNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CCCCCN1C(=O)CC(C)C1=O)C(C)C
InChIInChI=1S/C24H41N5O6/c1-7-25-21(32)16(5)27-23(34)20(14(2)3)28-22(33)17(6)26-18(30)11-9-8-10-12-29-19(31)13-15(4)24(29)35/h14-17,20H,7-13H2,1-6H3,(H,25,32)(H,26,30)(H,27,34)(H,28,33)/t15?,16-,17-,20-/m0/s1
InChIKeyAQBQPVSYACQOKR-SXENHGBCSA-N
MW495.62 g/mol
LogP0.23
Rot. Bonds14

About N-[(2S)-1-[[(2S)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanamide

N-[(2S)-1-[[(2S)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanamide (PubChem CID 156842064) has the molecular formula C24H41N5O6 and a molecular weight of 495.62 g/mol. Its IUPAC name is N-[(2S)-1-[[(2S)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(2S)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanamide
PubChem CID156842064
Molecular FormulaC24H41N5O6
Molecular Weight495.62 g/mol
Exact Mass495.31
IUPAC NameN-[(2S)-1-[[(2S)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanamide
SMILESCCNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CCCCCN1C(=O)CC(C)C1=O)C(C)C
InChIInChI=1S/C24H41N5O6/c1-7-25-21(32)16(5)27-23(34)20(14(2)3)28-22(33)17(6)26-18(30)11-9-8-10-12-29-19(31)13-15(4)24(29)35/h14-17,20H,7-13H2,1-6H3,(H,25,32)(H,26,30)(H,27,34)(H,28,33)/t15?,16-,17-,20-/m0/s1
InChIKeyAQBQPVSYACQOKR-SXENHGBCSA-N
XLogP0.23
TPSA153.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.62
LogP ≤ 50.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(2S)-1-[[(2S)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2S)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanamide?
The IUPAC name of N-[(2S)-1-[[(2S)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanamide (CID 156842064) is N-[(2S)-1-[[(2S)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanamide.
What is the SMILES notation for N-[(2S)-1-[[(2S)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanamide?
The canonical SMILES for N-[(2S)-1-[[(2S)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanamide is CCNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CCCCCN1C(=O)CC(C)C1=O)C(C)C.
What is the InChIKey of N-[(2S)-1-[[(2S)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanamide?
The InChIKey is AQBQPVSYACQOKR-SXENHGBCSA-N. The full InChI is InChI=1S/C24H41N5O6/c1-7-25-21(32)16(5)27-23(34)20(14(2)3)28-22(33)17(6)26-18(30)11-9-8-10-12-29-19(31)13-15(4)24(29)35/h14-17,20H,7-13H2,1-6H3,(H,25,32)(H,26,30)(H,27,34)(H,28,33)/t15?,16-,17-,20-/m0/s1.
What are the key properties of N-[(2S)-1-[[(2S)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanamide?
N-[(2S)-1-[[(2S)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanamide has a molecular weight of 495.62 g/mol, XLogP of 0.23, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(2S)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanamide is sourced from PubChem (CID 156842064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).