tert-butyl N-[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[1-(carbamoylamino)propan-2-ylcarbamoylamino]-3-methylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

C48H90N12O11 — CID 123283839

IUPACtert-butyl N-[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[1-(carbamoylamino)propan-2-ylcarbamoylamino]-3-methylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CNC(=O)NC(C)CNC(N)=O)C(C)C
InChIInChI=1S/C48H90N12O11/c1-24(2)18-33(42(65)54-31(13)40(63)58-35(20-26(5)6)44(67)59-37(28(9)10)23-51-46(69)52-29(11)22-50-45(49)68)56-38(61)30(12)53-41(64)34(19-25(3)4)57-39(62)32(14)55-43(66)36(21-27(7)8)60-47(70)71-48(15,16)17/h24-37H,18-23H2,1-17H3,(H,53,64)(H,54,65)(H,55,66)(H,56,61)(H,57,62)(H,58,63)(H,59,67)(H,60,70)(H3,49,50,68)(H2,51,52,69)
InChIKeyGCHXTNXYTZYPKR-UHFFFAOYSA-N
MW1011.32 g/mol
LogP1.53
Rot. Bonds29

About tert-butyl N-[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[1-(carbamoylamino)propan-2-ylcarbamoylamino]-3-methylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

tert-butyl N-[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[1-(carbamoylamino)propan-2-ylcarbamoylamino]-3-methylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 123283839) has the molecular formula C48H90N12O11 and a molecular weight of 1011.32 g/mol. Its IUPAC name is tert-butyl N-[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[1-(carbamoylamino)propan-2-ylcarbamoylamino]-3-methylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[1-(carbamoylamino)propan-2-ylcarbamoylamino]-3-methylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
PubChem CID123283839
Molecular FormulaC48H90N12O11
Molecular Weight1011.32 g/mol
Exact Mass1010.69
IUPAC Nametert-butyl N-[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[1-(carbamoylamino)propan-2-ylcarbamoylamino]-3-methylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CNC(=O)NC(C)CNC(N)=O)C(C)C
InChIInChI=1S/C48H90N12O11/c1-24(2)18-33(42(65)54-31(13)40(63)58-35(20-26(5)6)44(67)59-37(28(9)10)23-51-46(69)52-29(11)22-50-45(49)68)56-38(61)30(12)53-41(64)34(19-25(3)4)57-39(62)32(14)55-43(66)36(21-27(7)8)60-47(70)71-48(15,16)17/h24-37H,18-23H2,1-17H3,(H,53,64)(H,54,65)(H,55,66)(H,56,61)(H,57,62)(H,58,63)(H,59,67)(H,60,70)(H3,49,50,68)(H2,51,52,69)
InChIKeyGCHXTNXYTZYPKR-UHFFFAOYSA-N
XLogP1.53
TPSA338.28 Ų
H-Bond Donors12
H-Bond Acceptors11
Rotatable Bonds29
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001011.32
LogP ≤ 51.53
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1011

Analyze tert-butyl N-[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[1-(carbamoylamino)propan-2-ylcarbamoylamino]-3-methylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-4-methylpentan-2-yl]carbamoylamino]propan-2-yl]carbamoylamino]-3-methylbutan-2-yl]carbamoylamino]-4-methylpentan-2-yl]carbamoylamino]propan-2-yl]carbamoylamino]-3-methylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 138527105
tert-butyl (2S)-4-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]pentanoate
CID 175818879
methyl 4-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]pentanoate
CID 88936057
tert-butyl N-[(2S)-3-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-3-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-(methylcarbamoylamino)pentan-2-yl]carbamoylamino]propan-2-yl]carbamoylamino]butan-2-yl]carbamoylamino]pentan-2-yl]carbamoylamino]propan-2-yl]carbamothioylamino]butan-2-yl]carbamate
CID 122382888
4-methyl-2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoic acid
CID 3243056
tert-butyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 23388437
tert-butyl N-[(2S)-1-(1-hydroxypropan-2-ylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 101493965
tert-butyl N-[1-[1-[1-(propan-2-ylcarbamoylamino)propan-2-ylcarbamoylamino]propan-2-ylcarbamoylamino]propan-2-yl]carbamate
CID 21030199
tert-butyl N-[(2S)-1-[[(3S)-4-amino-3-hydroxybutyl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 86629834
tert-butyl N-[(2S)-3-methyl-1-[[(2S)-1-[[(3S)-5-methyl-2-oxohexan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]carbamate
CID 54093703
(2S)-3-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]butanoic acid
CID 14446073
tert-butyl N-[(2S)-1-(ethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 7038768

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[1-(carbamoylamino)propan-2-ylcarbamoylamino]-3-methylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[1-(carbamoylamino)propan-2-ylcarbamoylamino]-3-methylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate (CID 123283839) is tert-butyl N-[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[1-(carbamoylamino)propan-2-ylcarbamoylamino]-3-methylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[1-(carbamoylamino)propan-2-ylcarbamoylamino]-3-methylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[1-(carbamoylamino)propan-2-ylcarbamoylamino]-3-methylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate is CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CNC(=O)NC(C)CNC(N)=O)C(C)C.
What is the InChIKey of tert-butyl N-[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[1-(carbamoylamino)propan-2-ylcarbamoylamino]-3-methylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The InChIKey is GCHXTNXYTZYPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H90N12O11/c1-24(2)18-33(42(65)54-31(13)40(63)58-35(20-26(5)6)44(67)59-37(28(9)10)23-51-46(69)52-29(11)22-50-45(49)68)56-38(61)30(12)53-41(64)34(19-25(3)4)57-39(62)32(14)55-43(66)36(21-27(7)8)60-47(70)71-48(15,16)17/h24-37H,18-23H2,1-17H3,(H,53,64)(H,54,65)(H,55,66)(H,56,61)(H,57,62)(H,58,63)(H,59,67)(H,60,70)(H3,49,50,68)(H2,51,52,69).
What are the key properties of tert-butyl N-[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[1-(carbamoylamino)propan-2-ylcarbamoylamino]-3-methylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?
tert-butyl N-[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[1-(carbamoylamino)propan-2-ylcarbamoylamino]-3-methylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 1011.32 g/mol, XLogP of 1.53, 29 rotatable bonds, 12 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[1-(carbamoylamino)propan-2-ylcarbamoylamino]-3-methylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 123283839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).