cyclohexylmethyl N-[(2S)-1-[[(2S)-1-[[(1R,2S)-1-hydroxy-3-methyl-1-(3-oxo-2-phenylcyclopropen-1-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

C34H51N3O6 — CID 54362588

IUPACcyclohexylmethyl N-[(2S)-1-[[(2S)-1-[[(1R,2S)-1-hydroxy-3-methyl-1-(3-oxo-2-phenylcyclopropen-1-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)OCC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(O)c1c(-c2ccccc2)c1=O
InChIInChI=1S/C34H51N3O6/c1-20(2)17-25(35-32(40)26(18-21(3)4)36-34(42)43-19-23-13-9-7-10-14-23)33(41)37-29(22(5)6)31(39)28-27(30(28)38)24-15-11-8-12-16-24/h8,11-12,15-16,20-23,25-26,29,31,39H,7,9-10,13-14,17-19H2,1-6H3,(H,35,40)(H,36,42)(H,37,41)/t25-,26-,29-,31?/m0/s1
InChIKeyUNNPUJZTXGDOGC-JBUKIGCFSA-N
MW597.80 g/mol
LogP5.02
Rot. Bonds15

About cyclohexylmethyl N-[(2S)-1-[[(2S)-1-[[(1R,2S)-1-hydroxy-3-methyl-1-(3-oxo-2-phenylcyclopropen-1-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

cyclohexylmethyl N-[(2S)-1-[[(2S)-1-[[(1R,2S)-1-hydroxy-3-methyl-1-(3-oxo-2-phenylcyclopropen-1-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 54362588) has the molecular formula C34H51N3O6 and a molecular weight of 597.80 g/mol. Its IUPAC name is cyclohexylmethyl N-[(2S)-1-[[(2S)-1-[[(1R,2S)-1-hydroxy-3-methyl-1-(3-oxo-2-phenylcyclopropen-1-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Namecyclohexylmethyl N-[(2S)-1-[[(2S)-1-[[(1R,2S)-1-hydroxy-3-methyl-1-(3-oxo-2-phenylcyclopropen-1-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
PubChem CID54362588
Molecular FormulaC34H51N3O6
Molecular Weight597.80 g/mol
Exact Mass597.38
IUPAC Namecyclohexylmethyl N-[(2S)-1-[[(2S)-1-[[(1R,2S)-1-hydroxy-3-methyl-1-(3-oxo-2-phenylcyclopropen-1-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)OCC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(O)c1c(-c2ccccc2)c1=O
InChIInChI=1S/C34H51N3O6/c1-20(2)17-25(35-32(40)26(18-21(3)4)36-34(42)43-19-23-13-9-7-10-14-23)33(41)37-29(22(5)6)31(39)28-27(30(28)38)24-15-11-8-12-16-24/h8,11-12,15-16,20-23,25-26,29,31,39H,7,9-10,13-14,17-19H2,1-6H3,(H,35,40)(H,36,42)(H,37,41)/t25-,26-,29-,31?/m0/s1
InChIKeyUNNPUJZTXGDOGC-JBUKIGCFSA-N
XLogP5.02
TPSA133.83 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.80
LogP ≤ 55.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze cyclohexylmethyl N-[(2S)-1-[[(2S)-1-[[(1R,2S)-1-hydroxy-3-methyl-1-(3-oxo-2-phenylcyclopropen-1-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-acetamido-N-[(1S,2S)-1-hydroxy-3-methyl-1-(3-oxo-2-phenylcyclopropen-1-yl)butan-2-yl]-4-methylpentanamide
CID 54370782
(2S)-2-(benzenesulfonamido)-N-[(1S)-1-hydroxy-3-methyl-1-(3-oxo-2-phenylcyclopropen-1-yl)butan-2-yl]-4-methylpentanamide
CID 71655972
cycloheptylmethyl N-[1-[[4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 18941346
methyl (2S)-4-methyl-2-[[(2R)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoate
CID 7237625
(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoic acid
CID 6992475
benzyl N-[(2S)-4-methyl-1-[[(1S,3S)-3-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-oxocyclohexyl]amino]-1-oxopentan-2-yl]carbamate
CID 10627712
2-[[(2S)-1-[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]amino]-4-cyclohexyl-1-oxobutan-2-yl]amino]propanoic acid
CID 10366251
cyclohexylmethyl N-[(2R)-1-[[(2S)-1-hydroxy-3-methyl-1-(2-oxocyclopropyl)butan-2-yl]amino]-4-methylpentan-2-yl]carbamate
CID 70060743
4-methyl-2-[2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoylamino]pentanoic acid
CID 70145371
benzyl (2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]-3-methylbutanoate
CID 100954365
benzyl N-[(2S)-1-[[(2S)-1-[[(3S)-1-hydroxy-5-methyl-2-oxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 67703494
benzyl N-[(2S)-1-[[1-cyclohexyl-4,4-difluoro-5-(2-methylbutylamino)-3,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 100979465

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl N-[(2S)-1-[[(2S)-1-[[(1R,2S)-1-hydroxy-3-methyl-1-(3-oxo-2-phenylcyclopropen-1-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The IUPAC name of cyclohexylmethyl N-[(2S)-1-[[(2S)-1-[[(1R,2S)-1-hydroxy-3-methyl-1-(3-oxo-2-phenylcyclopropen-1-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate (CID 54362588) is cyclohexylmethyl N-[(2S)-1-[[(2S)-1-[[(1R,2S)-1-hydroxy-3-methyl-1-(3-oxo-2-phenylcyclopropen-1-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for cyclohexylmethyl N-[(2S)-1-[[(2S)-1-[[(1R,2S)-1-hydroxy-3-methyl-1-(3-oxo-2-phenylcyclopropen-1-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for cyclohexylmethyl N-[(2S)-1-[[(2S)-1-[[(1R,2S)-1-hydroxy-3-methyl-1-(3-oxo-2-phenylcyclopropen-1-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate is CC(C)C[C@H](NC(=O)OCC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(O)c1c(-c2ccccc2)c1=O.
What is the InChIKey of cyclohexylmethyl N-[(2S)-1-[[(2S)-1-[[(1R,2S)-1-hydroxy-3-methyl-1-(3-oxo-2-phenylcyclopropen-1-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The InChIKey is UNNPUJZTXGDOGC-JBUKIGCFSA-N. The full InChI is InChI=1S/C34H51N3O6/c1-20(2)17-25(35-32(40)26(18-21(3)4)36-34(42)43-19-23-13-9-7-10-14-23)33(41)37-29(22(5)6)31(39)28-27(30(28)38)24-15-11-8-12-16-24/h8,11-12,15-16,20-23,25-26,29,31,39H,7,9-10,13-14,17-19H2,1-6H3,(H,35,40)(H,36,42)(H,37,41)/t25-,26-,29-,31?/m0/s1.
What are the key properties of cyclohexylmethyl N-[(2S)-1-[[(2S)-1-[[(1R,2S)-1-hydroxy-3-methyl-1-(3-oxo-2-phenylcyclopropen-1-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?
cyclohexylmethyl N-[(2S)-1-[[(2S)-1-[[(1R,2S)-1-hydroxy-3-methyl-1-(3-oxo-2-phenylcyclopropen-1-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 597.80 g/mol, XLogP of 5.02, 15 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl N-[(2S)-1-[[(2S)-1-[[(1R,2S)-1-hydroxy-3-methyl-1-(3-oxo-2-phenylcyclopropen-1-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 54362588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).