benzyl (2S)-2-amino-5-[tert-butyl(diphenyl)silyl]oxypentanoate;benzyl (2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate;benzyl (2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;benzyl (2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxypentanoic acid

C138H171N5O24Si3 — CID 159293788

IUPACbenzyl (2S)-2-amino-5-[tert-butyl(diphenyl)silyl]oxypentanoate;benzyl (2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate;benzyl (2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;benzyl (2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxypentanoic acid
SMILESCC(C)(C)OC(=O)N[C@@H](CCC(=O)O)C(=O)OCc1ccccc1.CC(C)(C)OC(=O)N[C@@H](CCCO)C(=O)OCc1ccccc1.CC(C)(C)OC(=O)N[C@@H](CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OCc1ccccc1.CC(C)(C)[Si](OCCC[C@H](N)C(=O)OCc1ccccc1)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](OCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C43H45NO5Si.C33H43NO5Si.C28H35NO3Si.C17H23NO6.C17H25NO5/c1-43(2,3)50(33-20-9-5-10-21-33,34-22-11-6-12-23-34)49-29-17-28-40(41(45)47-30-32-18-7-4-8-19-32)44-42(46)48-31-39-37-26-15-13-24-35(37)36-25-14-16-27-38(36)39;1-32(2,3)39-31(36)34-29(30(35)37-25-26-17-10-7-11-18-26)23-16-24-38-40(33(4,5)6,27-19-12-8-13-20-27)28-21-14-9-15-22-28;1-28(2,3)33(24-16-9-5-10-17-24,25-18-11-6-12-19-25)32-21-13-20-26(29)27(30)31-22-23-14-7-4-8-15-23;1-17(2,3)24-16(22)18-13(9-10-14(19)20)15(21)23-11-12-7-5-4-6-8-12;1-17(2,3)23-16(21)18-14(10-7-11-19)15(20)22-12-13-8-5-4-6-9-13/h4-16,18-27,39-40H,17,28-31H2,1-3H3,(H,44,46);7-15,17-22,29H,16,23-25H2,1-6H3,(H,34,36);4-12,14-19,26H,13,20-22,29H2,1-3H3;4-8,13H,9-11H2,1-3H3,(H,18,22)(H,19,20);4-6,8-9,14,19H,7,10-12H2,1-3H3,(H,18,21)/t40-;29-;26-;13-;14-/m00000/s1
InChIKeyLALOLXPJSPHQPR-CSPJKTJTSA-N
MW2368.15 g/mol
LogP23.27
Rot. Bonds48

About benzyl (2S)-2-amino-5-[tert-butyl(diphenyl)silyl]oxypentanoate;benzyl (2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate;benzyl (2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;benzyl (2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxypentanoic acid

benzyl (2S)-2-amino-5-[tert-butyl(diphenyl)silyl]oxypentanoate;benzyl (2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate;benzyl (2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;benzyl (2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxypentanoic acid (PubChem CID 159293788) has the molecular formula C138H171N5O24Si3 and a molecular weight of 2368.15 g/mol. Its IUPAC name is benzyl (2S)-2-amino-5-[tert-butyl(diphenyl)silyl]oxypentanoate;benzyl (2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate;benzyl (2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;benzyl (2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxypentanoic acid.

Molecular Properties

Compound Namebenzyl (2S)-2-amino-5-[tert-butyl(diphenyl)silyl]oxypentanoate;benzyl (2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate;benzyl (2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;benzyl (2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxypentanoic acid
PubChem CID159293788
Molecular FormulaC138H171N5O24Si3
Molecular Weight2368.15 g/mol
Exact Mass2366.16
IUPAC Namebenzyl (2S)-2-amino-5-[tert-butyl(diphenyl)silyl]oxypentanoate;benzyl (2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate;benzyl (2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;benzyl (2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxypentanoic acid
SMILESCC(C)(C)OC(=O)N[C@@H](CCC(=O)O)C(=O)OCc1ccccc1.CC(C)(C)OC(=O)N[C@@H](CCCO)C(=O)OCc1ccccc1.CC(C)(C)OC(=O)N[C@@H](CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OCc1ccccc1.CC(C)(C)[Si](OCCC[C@H](N)C(=O)OCc1ccccc1)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](OCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C43H45NO5Si.C33H43NO5Si.C28H35NO3Si.C17H23NO6.C17H25NO5/c1-43(2,3)50(33-20-9-5-10-21-33,34-22-11-6-12-23-34)49-29-17-28-40(41(45)47-30-32-18-7-4-8-19-32)44-42(46)48-31-39-37-26-15-13-24-35(37)36-25-14-16-27-38(36)39;1-32(2,3)39-31(36)34-29(30(35)37-25-26-17-10-7-11-18-26)23-16-24-38-40(33(4,5)6,27-19-12-8-13-20-27)28-21-14-9-15-22-28;1-28(2,3)33(24-16-9-5-10-17-24,25-18-11-6-12-19-25)32-21-13-20-26(29)27(30)31-22-23-14-7-4-8-15-23;1-17(2,3)24-16(22)18-13(9-10-14(19)20)15(21)23-11-12-7-5-4-6-8-12;1-17(2,3)23-16(21)18-14(10-7-11-19)15(20)22-12-13-8-5-4-6-9-13/h4-16,18-27,39-40H,17,28-31H2,1-3H3,(H,44,46);7-15,17-22,29H,16,23-25H2,1-6H3,(H,34,36);4-12,14-19,26H,13,20-22,29H2,1-3H3;4-8,13H,9-11H2,1-3H3,(H,18,22)(H,19,20);4-6,8-9,14,19H,7,10-12H2,1-3H3,(H,18,21)/t40-;29-;26-;13-;14-/m00000/s1
InChIKeyLALOLXPJSPHQPR-CSPJKTJTSA-N
XLogP23.27
TPSA396.06 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds48
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002368.15
LogP ≤ 523.27
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze benzyl (2S)-2-amino-5-[tert-butyl(diphenyl)silyl]oxypentanoate;benzyl (2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate;benzyl (2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;benzyl (2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxypentanoic acid with MolForge

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Launch Full Analysis

Related Compounds

4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-phenylmethoxypentanoic acid
CID 75628880
(4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-phenylmethoxypentanoic acid
CID 10049854
dibenzyl (2S)-2-[[(4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]pentanedioate
CID 166162374
1-O-benzyl 5-O-tert-butyl (2R)-2-[[(2R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]pentanedioate
CID 166040015
benzyl (2S)-3-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate;benzyl (2S,6S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxoheptanoate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;sulfane;hydrochloride
CID 162107168
benzyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate
CID 66674263
benzyl 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;ethanol
CID 66769945
benzyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate
CID 66670922
(2R,7R)-7-(9H-fluoren-9-ylmethoxycarbonylamino)-8-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxooctanoic acid
CID 10698505
9H-fluoren-9-ylmethyl N-[1-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 58841936
benzyl 5-[tert-butyl(dimethyl)-λ4-sulfanyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate
CID 145301753
(2R)-2-amino-4-hydroxybutanoic acid;benzyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate;ethane
CID 162022771

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-amino-5-[tert-butyl(diphenyl)silyl]oxypentanoate;benzyl (2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate;benzyl (2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;benzyl (2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxypentanoic acid?
The IUPAC name of benzyl (2S)-2-amino-5-[tert-butyl(diphenyl)silyl]oxypentanoate;benzyl (2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate;benzyl (2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;benzyl (2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxypentanoic acid (CID 159293788) is benzyl (2S)-2-amino-5-[tert-butyl(diphenyl)silyl]oxypentanoate;benzyl (2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate;benzyl (2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;benzyl (2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxypentanoic acid.
What is the SMILES notation for benzyl (2S)-2-amino-5-[tert-butyl(diphenyl)silyl]oxypentanoate;benzyl (2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate;benzyl (2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;benzyl (2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxypentanoic acid?
The canonical SMILES for benzyl (2S)-2-amino-5-[tert-butyl(diphenyl)silyl]oxypentanoate;benzyl (2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate;benzyl (2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;benzyl (2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxypentanoic acid is CC(C)(C)OC(=O)N[C@@H](CCC(=O)O)C(=O)OCc1ccccc1.CC(C)(C)OC(=O)N[C@@H](CCCO)C(=O)OCc1ccccc1.CC(C)(C)OC(=O)N[C@@H](CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OCc1ccccc1.CC(C)(C)[Si](OCCC[C@H](N)C(=O)OCc1ccccc1)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](OCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of benzyl (2S)-2-amino-5-[tert-butyl(diphenyl)silyl]oxypentanoate;benzyl (2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate;benzyl (2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;benzyl (2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxypentanoic acid?
The InChIKey is LALOLXPJSPHQPR-CSPJKTJTSA-N. The full InChI is InChI=1S/C43H45NO5Si.C33H43NO5Si.C28H35NO3Si.C17H23NO6.C17H25NO5/c1-43(2,3)50(33-20-9-5-10-21-33,34-22-11-6-12-23-34)49-29-17-28-40(41(45)47-30-32-18-7-4-8-19-32)44-42(46)48-31-39-37-26-15-13-24-35(37)36-25-14-16-27-38(36)39;1-32(2,3)39-31(36)34-29(30(35)37-25-26-17-10-7-11-18-26)23-16-24-38-40(33(4,5)6,27-19-12-8-13-20-27)28-21-14-9-15-22-28;1-28(2,3)33(24-16-9-5-10-17-24,25-18-11-6-12-19-25)32-21-13-20-26(29)27(30)31-22-23-14-7-4-8-15-23;1-17(2,3)24-16(22)18-13(9-10-14(19)20)15(21)23-11-12-7-5-4-6-8-12;1-17(2,3)23-16(21)18-14(10-7-11-19)15(20)22-12-13-8-5-4-6-9-13/h4-16,18-27,39-40H,17,28-31H2,1-3H3,(H,44,46);7-15,17-22,29H,16,23-25H2,1-6H3,(H,34,36);4-12,14-19,26H,13,20-22,29H2,1-3H3;4-8,13H,9-11H2,1-3H3,(H,18,22)(H,19,20);4-6,8-9,14,19H,7,10-12H2,1-3H3,(H,18,21)/t40-;29-;26-;13-;14-/m00000/s1.
What are the key properties of benzyl (2S)-2-amino-5-[tert-butyl(diphenyl)silyl]oxypentanoate;benzyl (2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate;benzyl (2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;benzyl (2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxypentanoic acid?
benzyl (2S)-2-amino-5-[tert-butyl(diphenyl)silyl]oxypentanoate;benzyl (2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate;benzyl (2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;benzyl (2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxypentanoic acid has a molecular weight of 2368.15 g/mol, XLogP of 23.27, 48 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-amino-5-[tert-butyl(diphenyl)silyl]oxypentanoate;benzyl (2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate;benzyl (2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;benzyl (2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxypentanoic acid is sourced from PubChem (CID 159293788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).