tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-fluorosulfonyl-4-methylpentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

C23H44FN3O6S — CID 71455583

IUPACtert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-fluorosulfonyl-4-methylpentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCC(C)C[C@@H](CS(=O)(=O)F)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C23H44FN3O6S/c1-14(2)10-17(13-34(24,31)32)25-20(28)18(11-15(3)4)26-21(29)19(12-16(5)6)27-22(30)33-23(7,8)9/h14-19H,10-13H2,1-9H3,(H,25,28)(H,26,29)(H,27,30)/t17-,18-,19-/m0/s1
InChIKeyCIVRZUILHLHPTH-FHWLQOOXSA-N
MW509.69 g/mol
LogP3.29
Rot. Bonds13

About tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-fluorosulfonyl-4-methylpentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-fluorosulfonyl-4-methylpentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 71455583) has the molecular formula C23H44FN3O6S and a molecular weight of 509.69 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-fluorosulfonyl-4-methylpentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-fluorosulfonyl-4-methylpentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
PubChem CID71455583
Molecular FormulaC23H44FN3O6S
Molecular Weight509.69 g/mol
Exact Mass509.29
IUPAC Nametert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-fluorosulfonyl-4-methylpentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCC(C)C[C@@H](CS(=O)(=O)F)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C23H44FN3O6S/c1-14(2)10-17(13-34(24,31)32)25-20(28)18(11-15(3)4)26-21(29)19(12-16(5)6)27-22(30)33-23(7,8)9/h14-19H,10-13H2,1-9H3,(H,25,28)(H,26,29)(H,27,30)/t17-,18-,19-/m0/s1
InChIKeyCIVRZUILHLHPTH-FHWLQOOXSA-N
XLogP3.29
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.69
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-fluorosulfonyl-4-methylpentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-fluorosulfonyl-4-methylpentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-fluorosulfonyl-4-methylpentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate (CID 71455583) is tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-fluorosulfonyl-4-methylpentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-fluorosulfonyl-4-methylpentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-fluorosulfonyl-4-methylpentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate is CC(C)C[C@@H](CS(=O)(=O)F)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-fluorosulfonyl-4-methylpentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The InChIKey is CIVRZUILHLHPTH-FHWLQOOXSA-N. The full InChI is InChI=1S/C23H44FN3O6S/c1-14(2)10-17(13-34(24,31)32)25-20(28)18(11-15(3)4)26-21(29)19(12-16(5)6)27-22(30)33-23(7,8)9/h14-19H,10-13H2,1-9H3,(H,25,28)(H,26,29)(H,27,30)/t17-,18-,19-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-fluorosulfonyl-4-methylpentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?
tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-fluorosulfonyl-4-methylpentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 509.69 g/mol, XLogP of 3.29, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-fluorosulfonyl-4-methylpentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 71455583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).