benzyl (3R)-3-benzyl-4-oxo-4-[[(2S)-1-oxo-3-phenyl-1-[tris[(2-methylpropan-2-yl)oxy]silyloxy]propan-2-yl]amino]butanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-amino-3-phenylpropanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-[[(2R,5S)-2-benzyl-5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate

C145H202N6O28Si4 — CID 158992210

IUPACbenzyl (3R)-3-benzyl-4-oxo-4-[[(2S)-1-oxo-3-phenyl-1-[tris[(2-methylpropan-2-yl)oxy]silyloxy]propan-2-yl]amino]butanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-amino-3-phenylpropanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-[[(2R,5S)-2-benzyl-5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate
SMILESCC(C)(C)O[Si](OC(=O)[C@@H](N)Cc1ccccc1)(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si](OC(=O)[C@H](Cc1ccccc1)NC(=O)C(CC(=O)OCc1ccccc1)Cc1ccccc1)(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si](OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)Cc1ccccc1)(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si](OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C55H66N2O9Si.C39H53NO8Si.C30H46N2O6Si.C21H37NO5Si/c1-53(2,3)64-67(65-54(4,5)6,66-55(7,8)9)63-51(60)48(35-40-27-17-12-18-28-40)56-50(59)41(33-38-23-13-10-14-24-38)36-49(58)47(34-39-25-15-11-16-26-39)57-52(61)62-37-46-44-31-21-19-29-42(44)43-30-20-22-32-45(43)46;1-37(2,3)46-49(47-38(4,5)6,48-39(7,8)9)45-36(43)33(26-30-21-15-11-16-22-30)40-35(42)32(25-29-19-13-10-14-20-29)27-34(41)44-28-31-23-17-12-18-24-31;1-28(2,3)36-39(37-29(4,5)6,38-30(7,8)9)35-27(34)25(21-23-18-14-11-15-19-23)32-26(33)24(31)20-22-16-12-10-13-17-22;1-19(2,3)25-28(26-20(4,5)6,27-21(7,8)9)24-18(23)17(22)15-16-13-11-10-12-14-16/h10-32,41,46-48H,33-37H2,1-9H3,(H,56,59)(H,57,61);10-24,32-33H,25-28H2,1-9H3,(H,40,42);10-19,24-25H,20-21,31H2,1-9H3,(H,32,33);10-14,17H,15,22H2,1-9H3/t41-,47+,48+;32?,33-;24-,25-;17-/m1000/s1
InChIKeyJQHLOICCLAZJHS-NEKYFAMQSA-N
MW2589.57 g/mol
LogP25.92
Rot. Bonds52

About benzyl (3R)-3-benzyl-4-oxo-4-[[(2S)-1-oxo-3-phenyl-1-[tris[(2-methylpropan-2-yl)oxy]silyloxy]propan-2-yl]amino]butanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-amino-3-phenylpropanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-[[(2R,5S)-2-benzyl-5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate

benzyl (3R)-3-benzyl-4-oxo-4-[[(2S)-1-oxo-3-phenyl-1-[tris[(2-methylpropan-2-yl)oxy]silyloxy]propan-2-yl]amino]butanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-amino-3-phenylpropanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-[[(2R,5S)-2-benzyl-5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate (PubChem CID 158992210) has the molecular formula C145H202N6O28Si4 and a molecular weight of 2589.57 g/mol. Its IUPAC name is benzyl (3R)-3-benzyl-4-oxo-4-[[(2S)-1-oxo-3-phenyl-1-[tris[(2-methylpropan-2-yl)oxy]silyloxy]propan-2-yl]amino]butanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-amino-3-phenylpropanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-[[(2R,5S)-2-benzyl-5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namebenzyl (3R)-3-benzyl-4-oxo-4-[[(2S)-1-oxo-3-phenyl-1-[tris[(2-methylpropan-2-yl)oxy]silyloxy]propan-2-yl]amino]butanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-amino-3-phenylpropanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-[[(2R,5S)-2-benzyl-5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate
PubChem CID158992210
Molecular FormulaC145H202N6O28Si4
Molecular Weight2589.57 g/mol
Exact Mass2587.36
IUPAC Namebenzyl (3R)-3-benzyl-4-oxo-4-[[(2S)-1-oxo-3-phenyl-1-[tris[(2-methylpropan-2-yl)oxy]silyloxy]propan-2-yl]amino]butanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-amino-3-phenylpropanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-[[(2R,5S)-2-benzyl-5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate
SMILESCC(C)(C)O[Si](OC(=O)[C@@H](N)Cc1ccccc1)(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si](OC(=O)[C@H](Cc1ccccc1)NC(=O)C(CC(=O)OCc1ccccc1)Cc1ccccc1)(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si](OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)Cc1ccccc1)(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si](OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C55H66N2O9Si.C39H53NO8Si.C30H46N2O6Si.C21H37NO5Si/c1-53(2,3)64-67(65-54(4,5)6,66-55(7,8)9)63-51(60)48(35-40-27-17-12-18-28-40)56-50(59)41(33-38-23-13-10-14-24-38)36-49(58)47(34-39-25-15-11-16-26-39)57-52(61)62-37-46-44-31-21-19-29-42(44)43-30-20-22-32-45(43)46;1-37(2,3)46-49(47-38(4,5)6,48-39(7,8)9)45-36(43)33(26-30-21-15-11-16-22-30)40-35(42)32(25-29-19-13-10-14-20-29)27-34(41)44-28-31-23-17-12-18-24-31;1-28(2,3)36-39(37-29(4,5)6,38-30(7,8)9)35-27(34)25(21-23-18-14-11-15-19-23)32-26(33)24(31)20-22-16-12-10-13-17-22;1-19(2,3)25-28(26-20(4,5)6,27-21(7,8)9)24-18(23)17(22)15-16-13-11-10-12-14-16/h10-32,41,46-48H,33-37H2,1-9H3,(H,56,59)(H,57,61);10-24,32-33H,25-28H2,1-9H3,(H,40,42);10-19,24-25H,20-21,31H2,1-9H3,(H,32,33);10-14,17H,15,22H2,1-9H3/t41-,47+,48+;32?,33-;24-,25-;17-/m1000/s1
InChIKeyJQHLOICCLAZJHS-NEKYFAMQSA-N
XLogP25.92
TPSA437.00 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds52
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002589.57
LogP ≤ 525.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze benzyl (3R)-3-benzyl-4-oxo-4-[[(2S)-1-oxo-3-phenyl-1-[tris[(2-methylpropan-2-yl)oxy]silyloxy]propan-2-yl]amino]butanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-amino-3-phenylpropanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-[[(2R,5S)-2-benzyl-5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl N-[6-[(1-amino-1-oxopropan-2-yl)amino]-5-benzyl-3,6-dioxo-1-phenylhexan-2-yl]carbamate
CID 163737843
2-benzyl-5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-6-phenylhexanoic acid
CID 58061618
tert-butyl (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoate
CID 164672229
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
CID 175876902
[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-5-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-benzyl-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate;[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-2-benzyl-5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate;[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-2-benzyl-4-oxo-6-phenyl-5-[[(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-phenylpropanoate
CID 159547421
(2R,5S)-5-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-4-oxo-6-phenylhexanoic acid
CID 158609147
9H-fluoren-9-ylmethyl (2S)-2-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoate
CID 132525640
tert-butyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoate;carbanide;carbon monoxide;chromium
CID 161408361
2-[[(2R,5S)-2-benzyl-5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-6-phenylhexanoyl]-methylamino]acetic acid
CID 164985224
methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoate
CID 59063219
ethane;9H-fluoren-9-ylmethyl N-(3-oxo-1-phenylbutan-2-yl)carbamate
CID 172641438
9H-fluoren-9-ylmethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 10961226

Frequently Asked Questions

What is the IUPAC name of benzyl (3R)-3-benzyl-4-oxo-4-[[(2S)-1-oxo-3-phenyl-1-[tris[(2-methylpropan-2-yl)oxy]silyloxy]propan-2-yl]amino]butanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-amino-3-phenylpropanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-[[(2R,5S)-2-benzyl-5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate?
The IUPAC name of benzyl (3R)-3-benzyl-4-oxo-4-[[(2S)-1-oxo-3-phenyl-1-[tris[(2-methylpropan-2-yl)oxy]silyloxy]propan-2-yl]amino]butanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-amino-3-phenylpropanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-[[(2R,5S)-2-benzyl-5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate (CID 158992210) is benzyl (3R)-3-benzyl-4-oxo-4-[[(2S)-1-oxo-3-phenyl-1-[tris[(2-methylpropan-2-yl)oxy]silyloxy]propan-2-yl]amino]butanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-amino-3-phenylpropanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-[[(2R,5S)-2-benzyl-5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate.
What is the SMILES notation for benzyl (3R)-3-benzyl-4-oxo-4-[[(2S)-1-oxo-3-phenyl-1-[tris[(2-methylpropan-2-yl)oxy]silyloxy]propan-2-yl]amino]butanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-amino-3-phenylpropanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-[[(2R,5S)-2-benzyl-5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate?
The canonical SMILES for benzyl (3R)-3-benzyl-4-oxo-4-[[(2S)-1-oxo-3-phenyl-1-[tris[(2-methylpropan-2-yl)oxy]silyloxy]propan-2-yl]amino]butanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-amino-3-phenylpropanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-[[(2R,5S)-2-benzyl-5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate is CC(C)(C)O[Si](OC(=O)[C@@H](N)Cc1ccccc1)(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si](OC(=O)[C@H](Cc1ccccc1)NC(=O)C(CC(=O)OCc1ccccc1)Cc1ccccc1)(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si](OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)Cc1ccccc1)(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si](OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)(OC(C)(C)C)OC(C)(C)C.
What is the InChIKey of benzyl (3R)-3-benzyl-4-oxo-4-[[(2S)-1-oxo-3-phenyl-1-[tris[(2-methylpropan-2-yl)oxy]silyloxy]propan-2-yl]amino]butanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-amino-3-phenylpropanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-[[(2R,5S)-2-benzyl-5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate?
The InChIKey is JQHLOICCLAZJHS-NEKYFAMQSA-N. The full InChI is InChI=1S/C55H66N2O9Si.C39H53NO8Si.C30H46N2O6Si.C21H37NO5Si/c1-53(2,3)64-67(65-54(4,5)6,66-55(7,8)9)63-51(60)48(35-40-27-17-12-18-28-40)56-50(59)41(33-38-23-13-10-14-24-38)36-49(58)47(34-39-25-15-11-16-26-39)57-52(61)62-37-46-44-31-21-19-29-42(44)43-30-20-22-32-45(43)46;1-37(2,3)46-49(47-38(4,5)6,48-39(7,8)9)45-36(43)33(26-30-21-15-11-16-22-30)40-35(42)32(25-29-19-13-10-14-20-29)27-34(41)44-28-31-23-17-12-18-24-31;1-28(2,3)36-39(37-29(4,5)6,38-30(7,8)9)35-27(34)25(21-23-18-14-11-15-19-23)32-26(33)24(31)20-22-16-12-10-13-17-22;1-19(2,3)25-28(26-20(4,5)6,27-21(7,8)9)24-18(23)17(22)15-16-13-11-10-12-14-16/h10-32,41,46-48H,33-37H2,1-9H3,(H,56,59)(H,57,61);10-24,32-33H,25-28H2,1-9H3,(H,40,42);10-19,24-25H,20-21,31H2,1-9H3,(H,32,33);10-14,17H,15,22H2,1-9H3/t41-,47+,48+;32?,33-;24-,25-;17-/m1000/s1.
What are the key properties of benzyl (3R)-3-benzyl-4-oxo-4-[[(2S)-1-oxo-3-phenyl-1-[tris[(2-methylpropan-2-yl)oxy]silyloxy]propan-2-yl]amino]butanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-amino-3-phenylpropanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-[[(2R,5S)-2-benzyl-5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate?
benzyl (3R)-3-benzyl-4-oxo-4-[[(2S)-1-oxo-3-phenyl-1-[tris[(2-methylpropan-2-yl)oxy]silyloxy]propan-2-yl]amino]butanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-amino-3-phenylpropanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-[[(2R,5S)-2-benzyl-5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate has a molecular weight of 2589.57 g/mol, XLogP of 25.92, 52 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R)-3-benzyl-4-oxo-4-[[(2S)-1-oxo-3-phenyl-1-[tris[(2-methylpropan-2-yl)oxy]silyloxy]propan-2-yl]amino]butanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-amino-3-phenylpropanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-[[(2R,5S)-2-benzyl-5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 158992210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).