[1-[[5-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-(4-chlorophenyl)-3,4-dihydroxy-5-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl] N-(2-phenylethyl)carbamate

C34H48ClN5O8 — CID 20709697

IUPAC[1-[[5-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-(4-chlorophenyl)-3,4-dihydroxy-5-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl] N-(2-phenylethyl)carbamate
SMILESCC(C)CC(NC(=O)C(C)NC(=O)C(O)C(O)C(Cc1ccc(Cl)cc1)NC(=O)C(OC(=O)NCCc1ccccc1)C(C)C)C(N)=O
InChIInChI=1S/C34H48ClN5O8/c1-19(2)17-26(30(36)43)40-31(44)21(5)38-32(45)28(42)27(41)25(18-23-11-13-24(35)14-12-23)39-33(46)29(20(3)4)48-34(47)37-16-15-22-9-7-6-8-10-22/h6-14,19-21,25-29,41-42H,15-18H2,1-5H3,(H2,36,43)(H,37,47)(H,38,45)(H,39,46)(H,40,44)
InChIKeyQGWJBGWRRSOUHZ-UHFFFAOYSA-N
MW690.24 g/mol
LogP1.60
Rot. Bonds18

About [1-[[5-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-(4-chlorophenyl)-3,4-dihydroxy-5-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl] N-(2-phenylethyl)carbamate

[1-[[5-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-(4-chlorophenyl)-3,4-dihydroxy-5-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl] N-(2-phenylethyl)carbamate (PubChem CID 20709697) has the molecular formula C34H48ClN5O8 and a molecular weight of 690.24 g/mol. Its IUPAC name is [1-[[5-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-(4-chlorophenyl)-3,4-dihydroxy-5-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl] N-(2-phenylethyl)carbamate.

Molecular Properties

Compound Name[1-[[5-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-(4-chlorophenyl)-3,4-dihydroxy-5-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl] N-(2-phenylethyl)carbamate
PubChem CID20709697
Molecular FormulaC34H48ClN5O8
Molecular Weight690.24 g/mol
Exact Mass689.32
IUPAC Name[1-[[5-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-(4-chlorophenyl)-3,4-dihydroxy-5-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl] N-(2-phenylethyl)carbamate
SMILESCC(C)CC(NC(=O)C(C)NC(=O)C(O)C(O)C(Cc1ccc(Cl)cc1)NC(=O)C(OC(=O)NCCc1ccccc1)C(C)C)C(N)=O
InChIInChI=1S/C34H48ClN5O8/c1-19(2)17-26(30(36)43)40-31(44)21(5)38-32(45)28(42)27(41)25(18-23-11-13-24(35)14-12-23)39-33(46)29(20(3)4)48-34(47)37-16-15-22-9-7-6-8-10-22/h6-14,19-21,25-29,41-42H,15-18H2,1-5H3,(H2,36,43)(H,37,47)(H,38,45)(H,39,46)(H,40,44)
InChIKeyQGWJBGWRRSOUHZ-UHFFFAOYSA-N
XLogP1.60
TPSA209.18 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.24
LogP ≤ 51.60
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Analyze [1-[[5-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-(4-chlorophenyl)-3,4-dihydroxy-5-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl] N-(2-phenylethyl)carbamate with MolForge

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Launch Full Analysis

Related Compounds

[(2S)-1-[[(2S,3S,4R)-5-(butylamino)-3,4-dihydroxy-5-oxo-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl] N-butylcarbamate
CID 101092288
[1-[[3,4-dihydroxy-5-oxo-1-(4-phenylphenyl)-5-(propan-2-ylamino)pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl] N-benzylcarbamate;methane
CID 161179927
2-[2-[[5-(3,4-dichlorophenyl)-4-(3,3-diphenylpropanoylamino)-2,3-dihydroxypentanoyl]amino]propanoylamino]-4-methylpentanamide
CID 22958076
4-chloro-N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide
CID 55334565
[3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl] N-propan-2-ylcarbamate
CID 57157051
methyl (2S)-2-[[(2R,3S)-2-hydroxy-3-[(2-hydroxybenzoyl)amino]-4-phenylbutanoyl]amino]-4-methylpentanoate
CID 101046081
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanamide
CID 7016090
(2R)-2-amino-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 70832630
(2R,3S)-2-hydroxy-3-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-phenylbutanoic acid
CID 67735081
benzyl N-[(2S,3R)-4-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl-[(4-chlorophenyl)methyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 10212478
[(2S)-1-[(4-fluoro-3-oxo-1-phenylbutan-2-yl)amino]-3-methyl-1-oxobutan-2-yl] N-benzylcarbamate
CID 123571788
(2S)-2-amino-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N'-[2-(4-phenylphenyl)ethyl]pentanediamide
CID 69486836

Frequently Asked Questions

What is the IUPAC name of [1-[[5-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-(4-chlorophenyl)-3,4-dihydroxy-5-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl] N-(2-phenylethyl)carbamate?
The IUPAC name of [1-[[5-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-(4-chlorophenyl)-3,4-dihydroxy-5-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl] N-(2-phenylethyl)carbamate (CID 20709697) is [1-[[5-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-(4-chlorophenyl)-3,4-dihydroxy-5-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl] N-(2-phenylethyl)carbamate.
What is the SMILES notation for [1-[[5-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-(4-chlorophenyl)-3,4-dihydroxy-5-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl] N-(2-phenylethyl)carbamate?
The canonical SMILES for [1-[[5-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-(4-chlorophenyl)-3,4-dihydroxy-5-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl] N-(2-phenylethyl)carbamate is CC(C)CC(NC(=O)C(C)NC(=O)C(O)C(O)C(Cc1ccc(Cl)cc1)NC(=O)C(OC(=O)NCCc1ccccc1)C(C)C)C(N)=O.
What is the InChIKey of [1-[[5-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-(4-chlorophenyl)-3,4-dihydroxy-5-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl] N-(2-phenylethyl)carbamate?
The InChIKey is QGWJBGWRRSOUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H48ClN5O8/c1-19(2)17-26(30(36)43)40-31(44)21(5)38-32(45)28(42)27(41)25(18-23-11-13-24(35)14-12-23)39-33(46)29(20(3)4)48-34(47)37-16-15-22-9-7-6-8-10-22/h6-14,19-21,25-29,41-42H,15-18H2,1-5H3,(H2,36,43)(H,37,47)(H,38,45)(H,39,46)(H,40,44).
What are the key properties of [1-[[5-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-(4-chlorophenyl)-3,4-dihydroxy-5-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl] N-(2-phenylethyl)carbamate?
[1-[[5-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-(4-chlorophenyl)-3,4-dihydroxy-5-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl] N-(2-phenylethyl)carbamate has a molecular weight of 690.24 g/mol, XLogP of 1.60, 18 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-(4-chlorophenyl)-3,4-dihydroxy-5-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl] N-(2-phenylethyl)carbamate is sourced from PubChem (CID 20709697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).