(2S)-N-[3-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]-2-[3-[3-[fluoro-di(propan-2-yl)silyl]phenyl]propanoylamino]-3-methylbutanamide;(2S)-N-[3-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]-2-[3-[3-[hydroxy-di(propan-2-yl)silyl]phenyl]propanoylamino]-3-methylbutanamide

C68H101FN10O11Si2 — CID 158519955

IUPAC(2S)-N-[3-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]-2-[3-[3-[fluoro-di(propan-2-yl)silyl]phenyl]propanoylamino]-3-methylbutanamide;(2S)-N-[3-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]-2-[3-[3-[hydroxy-di(propan-2-yl)silyl]phenyl]propanoylamino]-3-methylbutanamide
SMILESCC(C)[C@H](NC(=O)CCc1cccc([Si](F)(C(C)C)C(C)C)c1)C(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O.CC(C)[C@H](NC(=O)CCc1cccc([Si](O)(C(C)C)C(C)C)c1)C(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
InChIInChI=1S/C34H50FN5O5Si.C34H51N5O6Si/c1-22(2)32(40-30(42)16-15-26-13-10-14-27(19-26)46(35,23(3)4)24(5)6)34(45)37-18-17-31(43)39-28(33(44)38-21-29(36)41)20-25-11-8-7-9-12-25;1-22(2)32(39-30(41)16-15-26-13-10-14-27(19-26)46(45,23(3)4)24(5)6)34(44)36-18-17-31(42)38-28(33(43)37-21-29(35)40)20-25-11-8-7-9-12-25/h7-14,19,22-24,28,32H,15-18,20-21H2,1-6H3,(H2,36,41)(H,37,45)(H,38,44)(H,39,43)(H,40,42);7-14,19,22-24,28,32,45H,15-18,20-21H2,1-6H3,(H2,35,40)(H,36,44)(H,37,43)(H,38,42)(H,39,41)/t2*28-,32-/m00/s1
InChIKeyHMCCVEWGVVFBGZ-OQUDPVQESA-N
MW1309.78 g/mol
LogP4.10
Rot. Bonds36

About (2S)-N-[3-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]-2-[3-[3-[fluoro-di(propan-2-yl)silyl]phenyl]propanoylamino]-3-methylbutanamide;(2S)-N-[3-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]-2-[3-[3-[hydroxy-di(propan-2-yl)silyl]phenyl]propanoylamino]-3-methylbutanamide

(2S)-N-[3-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]-2-[3-[3-[fluoro-di(propan-2-yl)silyl]phenyl]propanoylamino]-3-methylbutanamide;(2S)-N-[3-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]-2-[3-[3-[hydroxy-di(propan-2-yl)silyl]phenyl]propanoylamino]-3-methylbutanamide (PubChem CID 158519955) has the molecular formula C68H101FN10O11Si2 and a molecular weight of 1309.78 g/mol. Its IUPAC name is (2S)-N-[3-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]-2-[3-[3-[fluoro-di(propan-2-yl)silyl]phenyl]propanoylamino]-3-methylbutanamide;(2S)-N-[3-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]-2-[3-[3-[hydroxy-di(propan-2-yl)silyl]phenyl]propanoylamino]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-[3-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]-2-[3-[3-[fluoro-di(propan-2-yl)silyl]phenyl]propanoylamino]-3-methylbutanamide;(2S)-N-[3-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]-2-[3-[3-[hydroxy-di(propan-2-yl)silyl]phenyl]propanoylamino]-3-methylbutanamide
PubChem CID158519955
Molecular FormulaC68H101FN10O11Si2
Molecular Weight1309.78 g/mol
Exact Mass1308.72
IUPAC Name(2S)-N-[3-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]-2-[3-[3-[fluoro-di(propan-2-yl)silyl]phenyl]propanoylamino]-3-methylbutanamide;(2S)-N-[3-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]-2-[3-[3-[hydroxy-di(propan-2-yl)silyl]phenyl]propanoylamino]-3-methylbutanamide
SMILESCC(C)[C@H](NC(=O)CCc1cccc([Si](F)(C(C)C)C(C)C)c1)C(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O.CC(C)[C@H](NC(=O)CCc1cccc([Si](O)(C(C)C)C(C)C)c1)C(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
InChIInChI=1S/C34H50FN5O5Si.C34H51N5O6Si/c1-22(2)32(40-30(42)16-15-26-13-10-14-27(19-26)46(35,23(3)4)24(5)6)34(45)37-18-17-31(43)39-28(33(44)38-21-29(36)41)20-25-11-8-7-9-12-25;1-22(2)32(39-30(41)16-15-26-13-10-14-27(19-26)46(45,23(3)4)24(5)6)34(44)36-18-17-31(42)38-28(33(43)37-21-29(35)40)20-25-11-8-7-9-12-25/h7-14,19,22-24,28,32H,15-18,20-21H2,1-6H3,(H2,36,41)(H,37,45)(H,38,44)(H,39,43)(H,40,42);7-14,19,22-24,28,32,45H,15-18,20-21H2,1-6H3,(H2,35,40)(H,36,44)(H,37,43)(H,38,42)(H,39,41)/t2*28-,32-/m00/s1
InChIKeyHMCCVEWGVVFBGZ-OQUDPVQESA-N
XLogP4.10
TPSA339.21 Ų
H-Bond Donors11
H-Bond Acceptors11
Rotatable Bonds36
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001309.78
LogP ≤ 54.10
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze (2S)-N-[3-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]-2-[3-[3-[fluoro-di(propan-2-yl)silyl]phenyl]propanoylamino]-3-methylbutanamide;(2S)-N-[3-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]-2-[3-[3-[hydroxy-di(propan-2-yl)silyl]phenyl]propanoylamino]-3-methylbutanamide with MolForge

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Related Compounds

N-[(2S)-1-[[3-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]amino]-3-methyl-1-oxobutan-2-yl]-3-cyano-4-fluorobenzamide
CID 58013148
[4-[[(2S)-1-[[3-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-5-chloro-2-methylsulfonylphenyl]-trimethylazanium
CID 25012482
(2S)-4-methyl-2-[[2-[[(2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoyl]amino]acetyl]amino]pentanamide
CID 45277465
(2S)-N-(3-fluoro-2-oxopropyl)-3-phenyl-2-(3-phenylpropanoylamino)propanamide
CID 155550028
2-[[2-[[2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]acetic acid
CID 18490232
(2S)-N-(2-amino-2-oxoethyl)-2-[[(2R)-2-[3-(4-hydroxyphenyl)propanoylamino]propyl]amino]-3-phenylpropanamide
CID 10048115
(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxy-2,3,6-trimethylphenyl)propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide
CID 10417622
(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxy-2-methylphenyl)propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide
CID 10417463
(4S)-2-amino-4-[3-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoylamino]-3-oxo-5-phenylpentanamide
CID 174592453
(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-hydroxybutanoic acid
CID 134821997
2-[3-(3,4-dichlorophenyl)propanoylamino]-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide
CID 146506540
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(3-phenylpropanoylamino)propanoyl]amino]-3-methylbutanoic acid
CID 24984495

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]-2-[3-[3-[fluoro-di(propan-2-yl)silyl]phenyl]propanoylamino]-3-methylbutanamide;(2S)-N-[3-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]-2-[3-[3-[hydroxy-di(propan-2-yl)silyl]phenyl]propanoylamino]-3-methylbutanamide?
The IUPAC name of (2S)-N-[3-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]-2-[3-[3-[fluoro-di(propan-2-yl)silyl]phenyl]propanoylamino]-3-methylbutanamide;(2S)-N-[3-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]-2-[3-[3-[hydroxy-di(propan-2-yl)silyl]phenyl]propanoylamino]-3-methylbutanamide (CID 158519955) is (2S)-N-[3-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]-2-[3-[3-[fluoro-di(propan-2-yl)silyl]phenyl]propanoylamino]-3-methylbutanamide;(2S)-N-[3-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]-2-[3-[3-[hydroxy-di(propan-2-yl)silyl]phenyl]propanoylamino]-3-methylbutanamide.
What is the SMILES notation for (2S)-N-[3-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]-2-[3-[3-[fluoro-di(propan-2-yl)silyl]phenyl]propanoylamino]-3-methylbutanamide;(2S)-N-[3-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]-2-[3-[3-[hydroxy-di(propan-2-yl)silyl]phenyl]propanoylamino]-3-methylbutanamide?
The canonical SMILES for (2S)-N-[3-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]-2-[3-[3-[fluoro-di(propan-2-yl)silyl]phenyl]propanoylamino]-3-methylbutanamide;(2S)-N-[3-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]-2-[3-[3-[hydroxy-di(propan-2-yl)silyl]phenyl]propanoylamino]-3-methylbutanamide is CC(C)[C@H](NC(=O)CCc1cccc([Si](F)(C(C)C)C(C)C)c1)C(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O.CC(C)[C@H](NC(=O)CCc1cccc([Si](O)(C(C)C)C(C)C)c1)C(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O.
What is the InChIKey of (2S)-N-[3-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]-2-[3-[3-[fluoro-di(propan-2-yl)silyl]phenyl]propanoylamino]-3-methylbutanamide;(2S)-N-[3-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]-2-[3-[3-[hydroxy-di(propan-2-yl)silyl]phenyl]propanoylamino]-3-methylbutanamide?
The InChIKey is HMCCVEWGVVFBGZ-OQUDPVQESA-N. The full InChI is InChI=1S/C34H50FN5O5Si.C34H51N5O6Si/c1-22(2)32(40-30(42)16-15-26-13-10-14-27(19-26)46(35,23(3)4)24(5)6)34(45)37-18-17-31(43)39-28(33(44)38-21-29(36)41)20-25-11-8-7-9-12-25;1-22(2)32(39-30(41)16-15-26-13-10-14-27(19-26)46(45,23(3)4)24(5)6)34(44)36-18-17-31(42)38-28(33(43)37-21-29(35)40)20-25-11-8-7-9-12-25/h7-14,19,22-24,28,32H,15-18,20-21H2,1-6H3,(H2,36,41)(H,37,45)(H,38,44)(H,39,43)(H,40,42);7-14,19,22-24,28,32,45H,15-18,20-21H2,1-6H3,(H2,35,40)(H,36,44)(H,37,43)(H,38,42)(H,39,41)/t2*28-,32-/m00/s1.
What are the key properties of (2S)-N-[3-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]-2-[3-[3-[fluoro-di(propan-2-yl)silyl]phenyl]propanoylamino]-3-methylbutanamide;(2S)-N-[3-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]-2-[3-[3-[hydroxy-di(propan-2-yl)silyl]phenyl]propanoylamino]-3-methylbutanamide?
(2S)-N-[3-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]-2-[3-[3-[fluoro-di(propan-2-yl)silyl]phenyl]propanoylamino]-3-methylbutanamide;(2S)-N-[3-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]-2-[3-[3-[hydroxy-di(propan-2-yl)silyl]phenyl]propanoylamino]-3-methylbutanamide has a molecular weight of 1309.78 g/mol, XLogP of 4.10, 36 rotatable bonds, 11 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]-2-[3-[3-[fluoro-di(propan-2-yl)silyl]phenyl]propanoylamino]-3-methylbutanamide;(2S)-N-[3-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]-2-[3-[3-[hydroxy-di(propan-2-yl)silyl]phenyl]propanoylamino]-3-methylbutanamide is sourced from PubChem (CID 158519955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).