2-amino-3-[[1-amino-3-(9H-fluoren-9-ylmethoxy)-1,3-dioxopropan-2-yl]disulfanyl]propanoic acid;3-[[1-amino-3-(9H-fluoren-9-ylmethoxy)-1,3-dioxopropan-2-yl]disulfanyl]-2-(4-azidobutanoylamino)propanoic acid;3-[(2-amino-2-oxoethyl)disulfanyl]-2-(4-azidobutanoylamino)propanoic acid;9H-fluoren-9-ylmethyl 3-amino-3-oxo-2-sulfanylpropanoate;9H-fluoren-9-ylmethyl propanoate

C87H91N13O20S7 — CID 159199181

IUPAC2-amino-3-[[1-amino-3-(9H-fluoren-9-ylmethoxy)-1,3-dioxopropan-2-yl]disulfanyl]propanoic acid;3-[[1-amino-3-(9H-fluoren-9-ylmethoxy)-1,3-dioxopropan-2-yl]disulfanyl]-2-(4-azidobutanoylamino)propanoic acid;3-[(2-amino-2-oxoethyl)disulfanyl]-2-(4-azidobutanoylamino)propanoic acid;9H-fluoren-9-ylmethyl 3-amino-3-oxo-2-sulfanylpropanoate;9H-fluoren-9-ylmethyl propanoate
SMILESCCC(=O)OCC1c2ccccc2-c2ccccc21.NC(=O)C(S)C(=O)OCC1c2ccccc2-c2ccccc21.NC(=O)C(SSCC(N)C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21.[N-]=[N+]=NCCCC(=O)NC(CSSC(C(N)=O)C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.[N-]=[N+]=NCCCC(=O)NC(CSSCC(N)=O)C(=O)O
InChIInChI=1S/C24H25N5O6S2.C20H20N2O5S2.C17H15NO3S.C17H16O2.C9H15N5O4S2/c25-22(31)21(37-36-13-19(23(32)33)28-20(30)10-5-11-27-29-26)24(34)35-12-18-16-8-3-1-6-14(16)15-7-2-4-9-17(15)18;21-16(19(24)25)10-28-29-17(18(22)23)20(26)27-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15;18-16(19)15(22)17(20)21-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14;1-2-17(18)19-11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16;10-7(15)5-20-19-4-6(9(17)18)13-8(16)2-1-3-12-14-11/h1-4,6-9,18-19,21H,5,10-13H2,(H2,25,31)(H,28,30)(H,32,33);1-8,15-17H,9-10,21H2,(H2,22,23)(H,24,25);1-8,14-15,22H,9H2,(H2,18,19);3-10,16H,2,11H2,1H3;6H,1-5H2,(H2,10,15)(H,13,16)(H,17,18)
InChIKeyKPBCTGXSVIDGFK-UHFFFAOYSA-N
MW1863.22 g/mol
LogP11.62
Rot. Bonds41

About 2-amino-3-[[1-amino-3-(9H-fluoren-9-ylmethoxy)-1,3-dioxopropan-2-yl]disulfanyl]propanoic acid;3-[[1-amino-3-(9H-fluoren-9-ylmethoxy)-1,3-dioxopropan-2-yl]disulfanyl]-2-(4-azidobutanoylamino)propanoic acid;3-[(2-amino-2-oxoethyl)disulfanyl]-2-(4-azidobutanoylamino)propanoic acid;9H-fluoren-9-ylmethyl 3-amino-3-oxo-2-sulfanylpropanoate;9H-fluoren-9-ylmethyl propanoate

2-amino-3-[[1-amino-3-(9H-fluoren-9-ylmethoxy)-1,3-dioxopropan-2-yl]disulfanyl]propanoic acid;3-[[1-amino-3-(9H-fluoren-9-ylmethoxy)-1,3-dioxopropan-2-yl]disulfanyl]-2-(4-azidobutanoylamino)propanoic acid;3-[(2-amino-2-oxoethyl)disulfanyl]-2-(4-azidobutanoylamino)propanoic acid;9H-fluoren-9-ylmethyl 3-amino-3-oxo-2-sulfanylpropanoate;9H-fluoren-9-ylmethyl propanoate (PubChem CID 159199181) has the molecular formula C87H91N13O20S7 and a molecular weight of 1863.22 g/mol. Its IUPAC name is 2-amino-3-[[1-amino-3-(9H-fluoren-9-ylmethoxy)-1,3-dioxopropan-2-yl]disulfanyl]propanoic acid;3-[[1-amino-3-(9H-fluoren-9-ylmethoxy)-1,3-dioxopropan-2-yl]disulfanyl]-2-(4-azidobutanoylamino)propanoic acid;3-[(2-amino-2-oxoethyl)disulfanyl]-2-(4-azidobutanoylamino)propanoic acid;9H-fluoren-9-ylmethyl 3-amino-3-oxo-2-sulfanylpropanoate;9H-fluoren-9-ylmethyl propanoate.

Molecular Properties

Compound Name2-amino-3-[[1-amino-3-(9H-fluoren-9-ylmethoxy)-1,3-dioxopropan-2-yl]disulfanyl]propanoic acid;3-[[1-amino-3-(9H-fluoren-9-ylmethoxy)-1,3-dioxopropan-2-yl]disulfanyl]-2-(4-azidobutanoylamino)propanoic acid;3-[(2-amino-2-oxoethyl)disulfanyl]-2-(4-azidobutanoylamino)propanoic acid;9H-fluoren-9-ylmethyl 3-amino-3-oxo-2-sulfanylpropanoate;9H-fluoren-9-ylmethyl propanoate
PubChem CID159199181
Molecular FormulaC87H91N13O20S7
Molecular Weight1863.22 g/mol
Exact Mass1861.45
IUPAC Name2-amino-3-[[1-amino-3-(9H-fluoren-9-ylmethoxy)-1,3-dioxopropan-2-yl]disulfanyl]propanoic acid;3-[[1-amino-3-(9H-fluoren-9-ylmethoxy)-1,3-dioxopropan-2-yl]disulfanyl]-2-(4-azidobutanoylamino)propanoic acid;3-[(2-amino-2-oxoethyl)disulfanyl]-2-(4-azidobutanoylamino)propanoic acid;9H-fluoren-9-ylmethyl 3-amino-3-oxo-2-sulfanylpropanoate;9H-fluoren-9-ylmethyl propanoate
SMILESCCC(=O)OCC1c2ccccc2-c2ccccc21.NC(=O)C(S)C(=O)OCC1c2ccccc2-c2ccccc21.NC(=O)C(SSCC(N)C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21.[N-]=[N+]=NCCCC(=O)NC(CSSC(C(N)=O)C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.[N-]=[N+]=NCCCC(=O)NC(CSSCC(N)=O)C(=O)O
InChIInChI=1S/C24H25N5O6S2.C20H20N2O5S2.C17H15NO3S.C17H16O2.C9H15N5O4S2/c25-22(31)21(37-36-13-19(23(32)33)28-20(30)10-5-11-27-29-26)24(34)35-12-18-16-8-3-1-6-14(16)15-7-2-4-9-17(15)18;21-16(19(24)25)10-28-29-17(18(22)23)20(26)27-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15;18-16(19)15(22)17(20)21-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14;1-2-17(18)19-11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16;10-7(15)5-20-19-4-6(9(17)18)13-8(16)2-1-3-12-14-11/h1-4,6-9,18-19,21H,5,10-13H2,(H2,25,31)(H,28,30)(H,32,33);1-8,15-17H,9-10,21H2,(H2,22,23)(H,24,25);1-8,14-15,22H,9H2,(H2,18,19);3-10,16H,2,11H2,1H3;6H,1-5H2,(H2,10,15)(H,13,16)(H,17,18)
InChIKeyKPBCTGXSVIDGFK-UHFFFAOYSA-N
XLogP11.62
TPSA571.20 Ų
H-Bond Donors11
H-Bond Acceptors27
Rotatable Bonds41
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001863.22
LogP ≤ 511.62
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-amino-3-[[1-amino-3-(9H-fluoren-9-ylmethoxy)-1,3-dioxopropan-2-yl]disulfanyl]propanoic acid;3-[[1-amino-3-(9H-fluoren-9-ylmethoxy)-1,3-dioxopropan-2-yl]disulfanyl]-2-(4-azidobutanoylamino)propanoic acid;3-[(2-amino-2-oxoethyl)disulfanyl]-2-(4-azidobutanoylamino)propanoic acid;9H-fluoren-9-ylmethyl 3-amino-3-oxo-2-sulfanylpropanoate;9H-fluoren-9-ylmethyl propanoate with MolForge

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Launch Full Analysis

Related Compounds

(2S)-6-azido-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 25146063
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(3-methoxy-3-oxopropyl)disulfanyl]propanoic acid
CID 45139540
9H-fluoren-9-ylmethyl 8-[[(2R)-1-amino-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-8-oxooctanoate
CID 149356051
9H-fluoren-9-ylmethyl N-[(2S)-4-amino-1-(5-azidopentylamino)-1,4-dioxobutan-2-yl]carbamate
CID 11102647
(2S)-5-azido-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]pentanoic acid
CID 172994734
2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid
CID 14559129
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]-4-methylsulfanylbutanoic acid
CID 155892361
(2S)-5-azido-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpentanoic acid
CID 59827246
(2S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(pentadecanoylamino)butanoic acid
CID 169217785
(2S)-4-[3-(9H-fluoren-9-ylmethoxy)-3-oxopropyl]sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 14506226
2-[(2R)-3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropyl]sulfanylacetic acid
CID 167320183
(2S)-3-(2-carboxyethylsulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 98006677

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[1-amino-3-(9H-fluoren-9-ylmethoxy)-1,3-dioxopropan-2-yl]disulfanyl]propanoic acid;3-[[1-amino-3-(9H-fluoren-9-ylmethoxy)-1,3-dioxopropan-2-yl]disulfanyl]-2-(4-azidobutanoylamino)propanoic acid;3-[(2-amino-2-oxoethyl)disulfanyl]-2-(4-azidobutanoylamino)propanoic acid;9H-fluoren-9-ylmethyl 3-amino-3-oxo-2-sulfanylpropanoate;9H-fluoren-9-ylmethyl propanoate?
The IUPAC name of 2-amino-3-[[1-amino-3-(9H-fluoren-9-ylmethoxy)-1,3-dioxopropan-2-yl]disulfanyl]propanoic acid;3-[[1-amino-3-(9H-fluoren-9-ylmethoxy)-1,3-dioxopropan-2-yl]disulfanyl]-2-(4-azidobutanoylamino)propanoic acid;3-[(2-amino-2-oxoethyl)disulfanyl]-2-(4-azidobutanoylamino)propanoic acid;9H-fluoren-9-ylmethyl 3-amino-3-oxo-2-sulfanylpropanoate;9H-fluoren-9-ylmethyl propanoate (CID 159199181) is 2-amino-3-[[1-amino-3-(9H-fluoren-9-ylmethoxy)-1,3-dioxopropan-2-yl]disulfanyl]propanoic acid;3-[[1-amino-3-(9H-fluoren-9-ylmethoxy)-1,3-dioxopropan-2-yl]disulfanyl]-2-(4-azidobutanoylamino)propanoic acid;3-[(2-amino-2-oxoethyl)disulfanyl]-2-(4-azidobutanoylamino)propanoic acid;9H-fluoren-9-ylmethyl 3-amino-3-oxo-2-sulfanylpropanoate;9H-fluoren-9-ylmethyl propanoate.
What is the SMILES notation for 2-amino-3-[[1-amino-3-(9H-fluoren-9-ylmethoxy)-1,3-dioxopropan-2-yl]disulfanyl]propanoic acid;3-[[1-amino-3-(9H-fluoren-9-ylmethoxy)-1,3-dioxopropan-2-yl]disulfanyl]-2-(4-azidobutanoylamino)propanoic acid;3-[(2-amino-2-oxoethyl)disulfanyl]-2-(4-azidobutanoylamino)propanoic acid;9H-fluoren-9-ylmethyl 3-amino-3-oxo-2-sulfanylpropanoate;9H-fluoren-9-ylmethyl propanoate?
The canonical SMILES for 2-amino-3-[[1-amino-3-(9H-fluoren-9-ylmethoxy)-1,3-dioxopropan-2-yl]disulfanyl]propanoic acid;3-[[1-amino-3-(9H-fluoren-9-ylmethoxy)-1,3-dioxopropan-2-yl]disulfanyl]-2-(4-azidobutanoylamino)propanoic acid;3-[(2-amino-2-oxoethyl)disulfanyl]-2-(4-azidobutanoylamino)propanoic acid;9H-fluoren-9-ylmethyl 3-amino-3-oxo-2-sulfanylpropanoate;9H-fluoren-9-ylmethyl propanoate is CCC(=O)OCC1c2ccccc2-c2ccccc21.NC(=O)C(S)C(=O)OCC1c2ccccc2-c2ccccc21.NC(=O)C(SSCC(N)C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21.[N-]=[N+]=NCCCC(=O)NC(CSSC(C(N)=O)C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.[N-]=[N+]=NCCCC(=O)NC(CSSCC(N)=O)C(=O)O.
What is the InChIKey of 2-amino-3-[[1-amino-3-(9H-fluoren-9-ylmethoxy)-1,3-dioxopropan-2-yl]disulfanyl]propanoic acid;3-[[1-amino-3-(9H-fluoren-9-ylmethoxy)-1,3-dioxopropan-2-yl]disulfanyl]-2-(4-azidobutanoylamino)propanoic acid;3-[(2-amino-2-oxoethyl)disulfanyl]-2-(4-azidobutanoylamino)propanoic acid;9H-fluoren-9-ylmethyl 3-amino-3-oxo-2-sulfanylpropanoate;9H-fluoren-9-ylmethyl propanoate?
The InChIKey is KPBCTGXSVIDGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O6S2.C20H20N2O5S2.C17H15NO3S.C17H16O2.C9H15N5O4S2/c25-22(31)21(37-36-13-19(23(32)33)28-20(30)10-5-11-27-29-26)24(34)35-12-18-16-8-3-1-6-14(16)15-7-2-4-9-17(15)18;21-16(19(24)25)10-28-29-17(18(22)23)20(26)27-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15;18-16(19)15(22)17(20)21-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14;1-2-17(18)19-11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16;10-7(15)5-20-19-4-6(9(17)18)13-8(16)2-1-3-12-14-11/h1-4,6-9,18-19,21H,5,10-13H2,(H2,25,31)(H,28,30)(H,32,33);1-8,15-17H,9-10,21H2,(H2,22,23)(H,24,25);1-8,14-15,22H,9H2,(H2,18,19);3-10,16H,2,11H2,1H3;6H,1-5H2,(H2,10,15)(H,13,16)(H,17,18).
What are the key properties of 2-amino-3-[[1-amino-3-(9H-fluoren-9-ylmethoxy)-1,3-dioxopropan-2-yl]disulfanyl]propanoic acid;3-[[1-amino-3-(9H-fluoren-9-ylmethoxy)-1,3-dioxopropan-2-yl]disulfanyl]-2-(4-azidobutanoylamino)propanoic acid;3-[(2-amino-2-oxoethyl)disulfanyl]-2-(4-azidobutanoylamino)propanoic acid;9H-fluoren-9-ylmethyl 3-amino-3-oxo-2-sulfanylpropanoate;9H-fluoren-9-ylmethyl propanoate?
2-amino-3-[[1-amino-3-(9H-fluoren-9-ylmethoxy)-1,3-dioxopropan-2-yl]disulfanyl]propanoic acid;3-[[1-amino-3-(9H-fluoren-9-ylmethoxy)-1,3-dioxopropan-2-yl]disulfanyl]-2-(4-azidobutanoylamino)propanoic acid;3-[(2-amino-2-oxoethyl)disulfanyl]-2-(4-azidobutanoylamino)propanoic acid;9H-fluoren-9-ylmethyl 3-amino-3-oxo-2-sulfanylpropanoate;9H-fluoren-9-ylmethyl propanoate has a molecular weight of 1863.22 g/mol, XLogP of 11.62, 41 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[1-amino-3-(9H-fluoren-9-ylmethoxy)-1,3-dioxopropan-2-yl]disulfanyl]propanoic acid;3-[[1-amino-3-(9H-fluoren-9-ylmethoxy)-1,3-dioxopropan-2-yl]disulfanyl]-2-(4-azidobutanoylamino)propanoic acid;3-[(2-amino-2-oxoethyl)disulfanyl]-2-(4-azidobutanoylamino)propanoic acid;9H-fluoren-9-ylmethyl 3-amino-3-oxo-2-sulfanylpropanoate;9H-fluoren-9-ylmethyl propanoate is sourced from PubChem (CID 159199181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).