tert-butyl 4-[(2S)-2-[[(2S)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazole-1-carboxylate

C24H40N4O7 — CID 170902254

IUPACtert-butyl 4-[(2S)-2-[[(2S)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazole-1-carboxylate
SMILESCC(C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](Cc1cn(C(=O)OC(C)(C)C)cn1)C(=O)OC(C)(C)C
InChIInChI=1S/C24H40N4O7/c1-22(2,3)33-18(29)11-10-16(25)19(30)27-17(20(31)34-23(4,5)6)12-15-13-28(14-26-15)21(32)35-24(7,8)9/h13-14,16-17H,10-12,25H2,1-9H3,(H,27,30)/t16-,17-/m0/s1
InChIKeyWFMHBXYEDMOARA-IRXDYDNUSA-N
MW496.61 g/mol
LogP2.48
Rot. Bonds8

About tert-butyl 4-[(2S)-2-[[(2S)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazole-1-carboxylate

tert-butyl 4-[(2S)-2-[[(2S)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazole-1-carboxylate (PubChem CID 170902254) has the molecular formula C24H40N4O7 and a molecular weight of 496.61 g/mol. Its IUPAC name is tert-butyl 4-[(2S)-2-[[(2S)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2S)-2-[[(2S)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazole-1-carboxylate
PubChem CID170902254
Molecular FormulaC24H40N4O7
Molecular Weight496.61 g/mol
Exact Mass496.29
IUPAC Nametert-butyl 4-[(2S)-2-[[(2S)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazole-1-carboxylate
SMILESCC(C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](Cc1cn(C(=O)OC(C)(C)C)cn1)C(=O)OC(C)(C)C
InChIInChI=1S/C24H40N4O7/c1-22(2,3)33-18(29)11-10-16(25)19(30)27-17(20(31)34-23(4,5)6)12-15-13-28(14-26-15)21(32)35-24(7,8)9/h13-14,16-17H,10-12,25H2,1-9H3,(H,27,30)/t16-,17-/m0/s1
InChIKeyWFMHBXYEDMOARA-IRXDYDNUSA-N
XLogP2.48
TPSA151.84 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze tert-butyl 4-[(2S)-2-[[(2S)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazole-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[(2S)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]imidazole-1-carboxylate
CID 10505624
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]propanoic acid
CID 7019673
tert-butyl 4-[(2S)-3-cyclopentyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]imidazole-1-carboxylate
CID 122538743
tert-butyl 4-[3-cyclopentyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]imidazole-1-carboxylate
CID 122538742
ditert-butyl 2-[[2-[[4-[[4-amino-5-[[1,5-bis[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]-5-[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoyl]amino]acetyl]amino]pentanedioate
CID 166964506
2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]butanoic acid
CID 101030684
N-cyclohexylcyclohexanamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]propanoate
CID 158833201
(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]propanoic acid
CID 22838445
tert-butyl 4-[3-hydrazinyl-2-[[2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]imidazole-1-carboxylate
CID 123313980
benzyl 4-[(2S)-2-amino-4-[(2-methylpropan-2-yl)oxy]-3,4-dioxobutyl]imidazole-1-carboxylate
CID 173414746
tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazole-1-carboxylate
CID 819122
tert-butyl 4-[8-[(1-methoxy-1-oxoheptan-2-yl)carbamoyl]-12-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoylamino]-3,6-dioxododecyl]imidazole-1-carboxylate
CID 162223864

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2S)-2-[[(2S)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazole-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2S)-2-[[(2S)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazole-1-carboxylate (CID 170902254) is tert-butyl 4-[(2S)-2-[[(2S)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazole-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2S)-2-[[(2S)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazole-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2S)-2-[[(2S)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazole-1-carboxylate is CC(C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](Cc1cn(C(=O)OC(C)(C)C)cn1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-[(2S)-2-[[(2S)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazole-1-carboxylate?
The InChIKey is WFMHBXYEDMOARA-IRXDYDNUSA-N. The full InChI is InChI=1S/C24H40N4O7/c1-22(2,3)33-18(29)11-10-16(25)19(30)27-17(20(31)34-23(4,5)6)12-15-13-28(14-26-15)21(32)35-24(7,8)9/h13-14,16-17H,10-12,25H2,1-9H3,(H,27,30)/t16-,17-/m0/s1.
What are the key properties of tert-butyl 4-[(2S)-2-[[(2S)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazole-1-carboxylate?
tert-butyl 4-[(2S)-2-[[(2S)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazole-1-carboxylate has a molecular weight of 496.61 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2S)-2-[[(2S)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazole-1-carboxylate is sourced from PubChem (CID 170902254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).