(2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;1-O-tert-butyl 5-O-(2,3,4,5,6-pentafluorophenyl) (2S)-2-(tetradecanoylamino)pentanedioate;N-ethyl-N-propan-2-ylpropan-2-amine;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[(4S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-(tetradecanoylamino)pentanoyl]amino]hexanoic acid

C102H150F5N7O17 — CID 158144314

IUPAC(2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;1-O-tert-butyl 5-O-(2,3,4,5,6-pentafluorophenyl) (2S)-2-(tetradecanoylamino)pentanedioate;N-ethyl-N-propan-2-ylpropan-2-amine;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[(4S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-(tetradecanoylamino)pentanoyl]amino]hexanoic acid
SMILESCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)C(=O)OC(C)(C)C.CCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)Oc1c(F)c(F)c(F)c(F)c1F)C(=O)OC(C)(C)C.CCN(C(C)C)C(C)C.NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C44H65N3O8.C29H42F5NO5.C21H24N2O4.C8H19N/c1-5-6-7-8-9-10-11-12-13-14-15-27-40(49)46-38(42(52)55-44(2,3)4)28-29-39(48)45-30-21-20-26-37(41(50)51)47-43(53)54-31-36-34-24-18-16-22-32(34)33-23-17-19-25-35(33)36;1-5-6-7-8-9-10-11-12-13-14-15-16-20(36)35-19(28(38)40-29(2,3)4)17-18-21(37)39-27-25(33)23(31)22(30)24(32)26(27)34;22-12-6-5-11-19(20(24)25)23-21(26)27-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18;1-6-9(7(2)3)8(4)5/h16-19,22-25,36-38H,5-15,20-21,26-31H2,1-4H3,(H,45,48)(H,46,49)(H,47,53)(H,50,51);19H,5-18H2,1-4H3,(H,35,36);1-4,7-10,18-19H,5-6,11-13,22H2,(H,23,26)(H,24,25);7-8H,6H2,1-5H3/t37-,38-;2*19-;/m000./s1
InChIKeyFUICBVIHMTYTKU-REJKBIDYSA-N
MW1841.34 g/mol
LogP21.40
Rot. Bonds55

About (2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;1-O-tert-butyl 5-O-(2,3,4,5,6-pentafluorophenyl) (2S)-2-(tetradecanoylamino)pentanedioate;N-ethyl-N-propan-2-ylpropan-2-amine;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[(4S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-(tetradecanoylamino)pentanoyl]amino]hexanoic acid

(2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;1-O-tert-butyl 5-O-(2,3,4,5,6-pentafluorophenyl) (2S)-2-(tetradecanoylamino)pentanedioate;N-ethyl-N-propan-2-ylpropan-2-amine;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[(4S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-(tetradecanoylamino)pentanoyl]amino]hexanoic acid (PubChem CID 158144314) has the molecular formula C102H150F5N7O17 and a molecular weight of 1841.34 g/mol. Its IUPAC name is (2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;1-O-tert-butyl 5-O-(2,3,4,5,6-pentafluorophenyl) (2S)-2-(tetradecanoylamino)pentanedioate;N-ethyl-N-propan-2-ylpropan-2-amine;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[(4S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-(tetradecanoylamino)pentanoyl]amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;1-O-tert-butyl 5-O-(2,3,4,5,6-pentafluorophenyl) (2S)-2-(tetradecanoylamino)pentanedioate;N-ethyl-N-propan-2-ylpropan-2-amine;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[(4S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-(tetradecanoylamino)pentanoyl]amino]hexanoic acid
PubChem CID158144314
Molecular FormulaC102H150F5N7O17
Molecular Weight1841.34 g/mol
Exact Mass1840.10
IUPAC Name(2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;1-O-tert-butyl 5-O-(2,3,4,5,6-pentafluorophenyl) (2S)-2-(tetradecanoylamino)pentanedioate;N-ethyl-N-propan-2-ylpropan-2-amine;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[(4S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-(tetradecanoylamino)pentanoyl]amino]hexanoic acid
SMILESCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)C(=O)OC(C)(C)C.CCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)Oc1c(F)c(F)c(F)c(F)c1F)C(=O)OC(C)(C)C.CCN(C(C)C)C(C)C.NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C44H65N3O8.C29H42F5NO5.C21H24N2O4.C8H19N/c1-5-6-7-8-9-10-11-12-13-14-15-27-40(49)46-38(42(52)55-44(2,3)4)28-29-39(48)45-30-21-20-26-37(41(50)51)47-43(53)54-31-36-34-24-18-16-22-32(34)33-23-17-19-25-35(33)36;1-5-6-7-8-9-10-11-12-13-14-15-16-20(36)35-19(28(38)40-29(2,3)4)17-18-21(37)39-27-25(33)23(31)22(30)24(32)26(27)34;22-12-6-5-11-19(20(24)25)23-21(26)27-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18;1-6-9(7(2)3)8(4)5/h16-19,22-25,36-38H,5-15,20-21,26-31H2,1-4H3,(H,45,48)(H,46,49)(H,47,53)(H,50,51);19H,5-18H2,1-4H3,(H,35,36);1-4,7-10,18-19H,5-6,11-13,22H2,(H,23,26)(H,24,25);7-8H,6H2,1-5H3/t37-,38-;2*19-;/m000./s1
InChIKeyFUICBVIHMTYTKU-REJKBIDYSA-N
XLogP21.40
TPSA346.72 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds55
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001841.34
LogP ≤ 521.40
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;1-O-tert-butyl 5-O-(2,3,4,5,6-pentafluorophenyl) (2S)-2-(tetradecanoylamino)pentanedioate;N-ethyl-N-propan-2-ylpropan-2-amine;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[(4S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-(tetradecanoylamino)pentanoyl]amino]hexanoic acid with MolForge

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Related Compounds

(2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;N-ethyl-N-propan-2-ylpropan-2-amine;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(tetradecanoylamino)hexanoic acid;tetradecanoyl chloride
CID 159293590
2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[5-[(2-methylpropan-2-yl)oxy]-4-[8-[9-[(2-methylpropan-2-yl)oxy]-8,9-dioxononyl]sulfanyloctanoylamino]-5-oxopentanoyl]amino]hexanoic acid
CID 121482261
(2S)-3-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;1-O-tert-butyl 5-O-(2,3,4,5,6-pentafluorophenyl) (2S)-2-[[18-[(2-methylpropan-2-yl)oxy]-18-oxooctadecanoyl]amino]pentanedioate;deuterio(fluoro)methane;(2S,8S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-9-[(2-methylpropan-2-yl)oxy]-8-[[18-[(2-methylpropan-2-yl)oxy]-18-oxooctadecanoyl]amino]-5,9-dioxononanoic acid
CID 158619583
2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]hexanoic acid
CID 155885833
2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[2-[2-[3-[2-[2-[3-[[5-[(2-methylpropan-2-yl)oxy]-4-[8-[9-[(2-methylpropan-2-yl)oxy]-9-oxononyl]sulfanyloctanoylamino]-5-oxopentanoyl]amino]propoxy]ethoxy]ethoxy]propylamino]-2-oxoethoxy]acetyl]amino]hexanoic acid
CID 121482248
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(hexadecanoylamino)pentanoic acid
CID 51340573
tert-butyl 5-[6-(dodecanoylamino)hexylamino]-4-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]-5-oxopentanoate
CID 171736229
tert-butyl 5-[6-(dodecanoylamino)hexylamino]-4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]-5-oxopentanoate
CID 171736233
6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[[18-[(2-methylpropan-2-yl)oxy]-18-oxooctadecanoyl]amino]hexanoic acid
CID 121333096
2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[5-hydroxy-5-[(2-methylpropan-2-yl)oxy]-4-[[16-[(2-methylpropan-2-yl)oxy]-16-oxohexadecanoyl]amino]pentanoyl]amino]hexanoic acid
CID 155263953
ditert-butyl (2S)-2-[[6-[6-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]hexanoylamino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate
CID 156756777
2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(hexadecanoylamino)butanoic acid
CID 138110096

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;1-O-tert-butyl 5-O-(2,3,4,5,6-pentafluorophenyl) (2S)-2-(tetradecanoylamino)pentanedioate;N-ethyl-N-propan-2-ylpropan-2-amine;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[(4S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-(tetradecanoylamino)pentanoyl]amino]hexanoic acid?
The IUPAC name of (2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;1-O-tert-butyl 5-O-(2,3,4,5,6-pentafluorophenyl) (2S)-2-(tetradecanoylamino)pentanedioate;N-ethyl-N-propan-2-ylpropan-2-amine;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[(4S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-(tetradecanoylamino)pentanoyl]amino]hexanoic acid (CID 158144314) is (2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;1-O-tert-butyl 5-O-(2,3,4,5,6-pentafluorophenyl) (2S)-2-(tetradecanoylamino)pentanedioate;N-ethyl-N-propan-2-ylpropan-2-amine;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[(4S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-(tetradecanoylamino)pentanoyl]amino]hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;1-O-tert-butyl 5-O-(2,3,4,5,6-pentafluorophenyl) (2S)-2-(tetradecanoylamino)pentanedioate;N-ethyl-N-propan-2-ylpropan-2-amine;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[(4S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-(tetradecanoylamino)pentanoyl]amino]hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;1-O-tert-butyl 5-O-(2,3,4,5,6-pentafluorophenyl) (2S)-2-(tetradecanoylamino)pentanedioate;N-ethyl-N-propan-2-ylpropan-2-amine;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[(4S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-(tetradecanoylamino)pentanoyl]amino]hexanoic acid is CCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)C(=O)OC(C)(C)C.CCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)Oc1c(F)c(F)c(F)c(F)c1F)C(=O)OC(C)(C)C.CCN(C(C)C)C(C)C.NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;1-O-tert-butyl 5-O-(2,3,4,5,6-pentafluorophenyl) (2S)-2-(tetradecanoylamino)pentanedioate;N-ethyl-N-propan-2-ylpropan-2-amine;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[(4S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-(tetradecanoylamino)pentanoyl]amino]hexanoic acid?
The InChIKey is FUICBVIHMTYTKU-REJKBIDYSA-N. The full InChI is InChI=1S/C44H65N3O8.C29H42F5NO5.C21H24N2O4.C8H19N/c1-5-6-7-8-9-10-11-12-13-14-15-27-40(49)46-38(42(52)55-44(2,3)4)28-29-39(48)45-30-21-20-26-37(41(50)51)47-43(53)54-31-36-34-24-18-16-22-32(34)33-23-17-19-25-35(33)36;1-5-6-7-8-9-10-11-12-13-14-15-16-20(36)35-19(28(38)40-29(2,3)4)17-18-21(37)39-27-25(33)23(31)22(30)24(32)26(27)34;22-12-6-5-11-19(20(24)25)23-21(26)27-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18;1-6-9(7(2)3)8(4)5/h16-19,22-25,36-38H,5-15,20-21,26-31H2,1-4H3,(H,45,48)(H,46,49)(H,47,53)(H,50,51);19H,5-18H2,1-4H3,(H,35,36);1-4,7-10,18-19H,5-6,11-13,22H2,(H,23,26)(H,24,25);7-8H,6H2,1-5H3/t37-,38-;2*19-;/m000./s1.
What are the key properties of (2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;1-O-tert-butyl 5-O-(2,3,4,5,6-pentafluorophenyl) (2S)-2-(tetradecanoylamino)pentanedioate;N-ethyl-N-propan-2-ylpropan-2-amine;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[(4S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-(tetradecanoylamino)pentanoyl]amino]hexanoic acid?
(2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;1-O-tert-butyl 5-O-(2,3,4,5,6-pentafluorophenyl) (2S)-2-(tetradecanoylamino)pentanedioate;N-ethyl-N-propan-2-ylpropan-2-amine;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[(4S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-(tetradecanoylamino)pentanoyl]amino]hexanoic acid has a molecular weight of 1841.34 g/mol, XLogP of 21.40, 55 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;1-O-tert-butyl 5-O-(2,3,4,5,6-pentafluorophenyl) (2S)-2-(tetradecanoylamino)pentanedioate;N-ethyl-N-propan-2-ylpropan-2-amine;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[(4S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-(tetradecanoylamino)pentanoyl]amino]hexanoic acid is sourced from PubChem (CID 158144314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).