N-[(2S)-1-[[(2S)-4-[2-(benzenesulfonamido)ethylamino]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1-oxoheptan-2-yl]-2-cyclopentyl-10-(1,3-dioxoisoindol-2-yl)decanamide

C48H65N5O8S — CID 59971866

IUPACN-[(2S)-1-[[(2S)-4-[2-(benzenesulfonamido)ethylamino]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1-oxoheptan-2-yl]-2-cyclopentyl-10-(1,3-dioxoisoindol-2-yl)decanamide
SMILESCCCCC[C@H](NC(=O)C(CCCCCCCCN1C(=O)c2ccccc2C1=O)C1CCCC1)C(=O)N[C@@H](Cc1ccccc1)C(O)C(=O)NCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C48H65N5O8S/c1-2-3-10-30-41(45(56)52-42(34-35-21-11-8-12-22-35)43(54)46(57)49-31-32-50-62(60,61)37-25-13-9-14-26-37)51-44(55)38(36-23-16-17-24-36)27-15-6-4-5-7-20-33-53-47(58)39-28-18-19-29-40(39)48(53)59/h8-9,11-14,18-19,21-22,25-26,28-29,36,38,41-43,50,54H,2-7,10,15-17,20,23-24,27,30-34H2,1H3,(H,49,57)(H,51,55)(H,52,56)/t38?,41-,42-,43?/m0/s1
InChIKeyVMCVIYATJQVKSW-CWOUAHDPSA-N
MW872.14 g/mol
LogP6.07
Rot. Bonds27

About N-[(2S)-1-[[(2S)-4-[2-(benzenesulfonamido)ethylamino]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1-oxoheptan-2-yl]-2-cyclopentyl-10-(1,3-dioxoisoindol-2-yl)decanamide

N-[(2S)-1-[[(2S)-4-[2-(benzenesulfonamido)ethylamino]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1-oxoheptan-2-yl]-2-cyclopentyl-10-(1,3-dioxoisoindol-2-yl)decanamide (PubChem CID 59971866) has the molecular formula C48H65N5O8S and a molecular weight of 872.14 g/mol. Its IUPAC name is N-[(2S)-1-[[(2S)-4-[2-(benzenesulfonamido)ethylamino]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1-oxoheptan-2-yl]-2-cyclopentyl-10-(1,3-dioxoisoindol-2-yl)decanamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(2S)-4-[2-(benzenesulfonamido)ethylamino]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1-oxoheptan-2-yl]-2-cyclopentyl-10-(1,3-dioxoisoindol-2-yl)decanamide
PubChem CID59971866
Molecular FormulaC48H65N5O8S
Molecular Weight872.14 g/mol
Exact Mass871.46
IUPAC NameN-[(2S)-1-[[(2S)-4-[2-(benzenesulfonamido)ethylamino]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1-oxoheptan-2-yl]-2-cyclopentyl-10-(1,3-dioxoisoindol-2-yl)decanamide
SMILESCCCCC[C@H](NC(=O)C(CCCCCCCCN1C(=O)c2ccccc2C1=O)C1CCCC1)C(=O)N[C@@H](Cc1ccccc1)C(O)C(=O)NCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C48H65N5O8S/c1-2-3-10-30-41(45(56)52-42(34-35-21-11-8-12-22-35)43(54)46(57)49-31-32-50-62(60,61)37-25-13-9-14-26-37)51-44(55)38(36-23-16-17-24-36)27-15-6-4-5-7-20-33-53-47(58)39-28-18-19-29-40(39)48(53)59/h8-9,11-14,18-19,21-22,25-26,28-29,36,38,41-43,50,54H,2-7,10,15-17,20,23-24,27,30-34H2,1H3,(H,49,57)(H,51,55)(H,52,56)/t38?,41-,42-,43?/m0/s1
InChIKeyVMCVIYATJQVKSW-CWOUAHDPSA-N
XLogP6.07
TPSA191.08 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds27
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.14
LogP ≤ 56.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[(2S)-1-[[(2S)-4-[2-(benzenesulfonamido)ethylamino]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1-oxoheptan-2-yl]-2-cyclopentyl-10-(1,3-dioxoisoindol-2-yl)decanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2S)-1-[[(2S)-4-[2-(benzenesulfonamido)ethylamino]-3,4-dioxo-1-phenylbutan-2-yl]amino]-6-(methanesulfonamido)-1-oxohexan-2-yl]-2-cyclopentyl-10-(1,3-dioxoisoindol-2-yl)decanamide
CID 44321590
(2S,4S,5S)-N-butyl-6-cyclohexyl-5-[[(2S)-2-[[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]hexanoyl]amino]-4-hydroxy-2-propan-2-ylhexanamide
CID 44380917
N-[(2S)-6-amino-1-[[(2S)-4-[2-(benzenesulfonamido)ethylamino]-3,4-dioxo-1-phenylbutan-2-yl]amino]-1-oxohexan-2-yl]-2-cyclopentyl-10-(1,3-dioxoisoindol-2-yl)decanamide;hydrochloride
CID 45261015
3-(N-benzyl-N-methylsulfamoyl)-N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)benzamide
CID 49863030
tert-butyl N-[(5S)-6-[[(2S)-4-[2-(benzenesulfonamido)ethylamino]-3,4-dioxo-1-phenylbutan-2-yl]amino]-5-[[2-cyclopentyl-10-(1,3-dioxoisoindol-2-yl)decanoyl]amino]-6-oxohexyl]carbamate
CID 44321423
N-[(2S)-1-[[(2S)-4-[2-(benzenesulfonamido)ethylamino]-3,4-dioxo-1-phenylbutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-cyclopentyl-10-(1,3-dioxoisoindol-2-yl)decanamide;hydrochloride
CID 45264972
N-[(1S,2R)-1-benzyl-3-[(4-bromophenyl)sulfonyl-isobutyl-amino]-2-hydroxy-propyl]-2-(1,3-dioxoisoindolin-2-yl)acetamide
CID 46867099
N-[(1S,2R)-1-benzyl-3-[(4-bromophenyl)sulfonyl-isobutyl-amino]-2-hydroxy-propyl]-3-(1,3-dioxoisoindolin-2-yl)propanamide
CID 46867102
N-[(1S,2R)-1-benzyl-3-[(4-bromophenyl)sulfonyl-isobutyl-amino]-2-hydroxy-propyl]-4-(1,3-dioxoisoindolin-2-yl)butanamide
CID 46867235
(2S)-N-[(1S,2R)-1-benzyl-3-[(4-bromophenyl)sulfonyl-isobutyl-amino]-2-hydroxy-propyl]-2-(1,3-dioxoisoindolin-2-yl)propanamide
CID 46867362
(2S)-N-[(1S,2R)-1-benzyl-3-[(4-bromophenyl)sulfonyl-isobutyl-amino]-2-hydroxy-propyl]-2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanamide
CID 46867364
(2S)-N-[(1S,2R)-1-benzyl-3-[(4-bromophenyl)sulfonyl-isobutyl-amino]-2-hydroxy-propyl]-2-(1,3-dioxoisoindolin-2-yl)-4-methyl-pentanamide
CID 46867492

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2S)-4-[2-(benzenesulfonamido)ethylamino]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1-oxoheptan-2-yl]-2-cyclopentyl-10-(1,3-dioxoisoindol-2-yl)decanamide?
The IUPAC name of N-[(2S)-1-[[(2S)-4-[2-(benzenesulfonamido)ethylamino]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1-oxoheptan-2-yl]-2-cyclopentyl-10-(1,3-dioxoisoindol-2-yl)decanamide (CID 59971866) is N-[(2S)-1-[[(2S)-4-[2-(benzenesulfonamido)ethylamino]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1-oxoheptan-2-yl]-2-cyclopentyl-10-(1,3-dioxoisoindol-2-yl)decanamide.
What is the SMILES notation for N-[(2S)-1-[[(2S)-4-[2-(benzenesulfonamido)ethylamino]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1-oxoheptan-2-yl]-2-cyclopentyl-10-(1,3-dioxoisoindol-2-yl)decanamide?
The canonical SMILES for N-[(2S)-1-[[(2S)-4-[2-(benzenesulfonamido)ethylamino]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1-oxoheptan-2-yl]-2-cyclopentyl-10-(1,3-dioxoisoindol-2-yl)decanamide is CCCCC[C@H](NC(=O)C(CCCCCCCCN1C(=O)c2ccccc2C1=O)C1CCCC1)C(=O)N[C@@H](Cc1ccccc1)C(O)C(=O)NCCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(2S)-1-[[(2S)-4-[2-(benzenesulfonamido)ethylamino]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1-oxoheptan-2-yl]-2-cyclopentyl-10-(1,3-dioxoisoindol-2-yl)decanamide?
The InChIKey is VMCVIYATJQVKSW-CWOUAHDPSA-N. The full InChI is InChI=1S/C48H65N5O8S/c1-2-3-10-30-41(45(56)52-42(34-35-21-11-8-12-22-35)43(54)46(57)49-31-32-50-62(60,61)37-25-13-9-14-26-37)51-44(55)38(36-23-16-17-24-36)27-15-6-4-5-7-20-33-53-47(58)39-28-18-19-29-40(39)48(53)59/h8-9,11-14,18-19,21-22,25-26,28-29,36,38,41-43,50,54H,2-7,10,15-17,20,23-24,27,30-34H2,1H3,(H,49,57)(H,51,55)(H,52,56)/t38?,41-,42-,43?/m0/s1.
What are the key properties of N-[(2S)-1-[[(2S)-4-[2-(benzenesulfonamido)ethylamino]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1-oxoheptan-2-yl]-2-cyclopentyl-10-(1,3-dioxoisoindol-2-yl)decanamide?
N-[(2S)-1-[[(2S)-4-[2-(benzenesulfonamido)ethylamino]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1-oxoheptan-2-yl]-2-cyclopentyl-10-(1,3-dioxoisoindol-2-yl)decanamide has a molecular weight of 872.14 g/mol, XLogP of 6.07, 27 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(2S)-4-[2-(benzenesulfonamido)ethylamino]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1-oxoheptan-2-yl]-2-cyclopentyl-10-(1,3-dioxoisoindol-2-yl)decanamide is sourced from PubChem (CID 59971866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).