9H-fluoren-9-ylmethyl N-[(1S)-1-[5-[(2S)-butan-2-yl]-1,3,4-oxadiazol-2-yl]-3-oxo-3-(tritylamino)propyl]carbamate;9H-fluoren-9-ylmethyl N-[(2S)-1-[[(3S)-3-methyl-2-oxopentyl]amino]-1,4-dioxo-4-(tritylamino)butan-2-yl]carbamate

C87H83N7O9 — CID 159392341

IUPAC9H-fluoren-9-ylmethyl N-[(1S)-1-[5-[(2S)-butan-2-yl]-1,3,4-oxadiazol-2-yl]-3-oxo-3-(tritylamino)propyl]carbamate;9H-fluoren-9-ylmethyl N-[(2S)-1-[[(3S)-3-methyl-2-oxopentyl]amino]-1,4-dioxo-4-(tritylamino)butan-2-yl]carbamate
SMILESCC[C@H](C)C(=O)CNC(=O)[C@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21.CC[C@H](C)c1nnc([C@H](CC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)o1
InChIInChI=1S/C44H43N3O5.C43H40N4O4/c1-3-30(2)40(48)28-45-42(50)39(46-43(51)52-29-38-36-25-15-13-23-34(36)35-24-14-16-26-37(35)38)27-41(49)47-44(31-17-7-4-8-18-31,32-19-9-5-10-20-32)33-21-11-6-12-22-33;1-3-29(2)40-46-47-41(51-40)38(44-42(49)50-28-37-35-25-15-13-23-33(35)34-24-14-16-26-36(34)37)27-39(48)45-43(30-17-7-4-8-18-30,31-19-9-5-10-20-31)32-21-11-6-12-22-32/h4-26,30,38-39H,3,27-29H2,1-2H3,(H,45,50)(H,46,51)(H,47,49);4-26,29,37-38H,3,27-28H2,1-2H3,(H,44,49)(H,45,48)/t30-,39-;29-,38-/m00/s1
InChIKeyLMGVEADJYPRXDV-ITPSIDJDSA-N
MW1370.66 g/mol
LogP15.78
Rot. Bonds26

About 9H-fluoren-9-ylmethyl N-[(1S)-1-[5-[(2S)-butan-2-yl]-1,3,4-oxadiazol-2-yl]-3-oxo-3-(tritylamino)propyl]carbamate;9H-fluoren-9-ylmethyl N-[(2S)-1-[[(3S)-3-methyl-2-oxopentyl]amino]-1,4-dioxo-4-(tritylamino)butan-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[(1S)-1-[5-[(2S)-butan-2-yl]-1,3,4-oxadiazol-2-yl]-3-oxo-3-(tritylamino)propyl]carbamate;9H-fluoren-9-ylmethyl N-[(2S)-1-[[(3S)-3-methyl-2-oxopentyl]amino]-1,4-dioxo-4-(tritylamino)butan-2-yl]carbamate (PubChem CID 159392341) has the molecular formula C87H83N7O9 and a molecular weight of 1370.66 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(1S)-1-[5-[(2S)-butan-2-yl]-1,3,4-oxadiazol-2-yl]-3-oxo-3-(tritylamino)propyl]carbamate;9H-fluoren-9-ylmethyl N-[(2S)-1-[[(3S)-3-methyl-2-oxopentyl]amino]-1,4-dioxo-4-(tritylamino)butan-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(1S)-1-[5-[(2S)-butan-2-yl]-1,3,4-oxadiazol-2-yl]-3-oxo-3-(tritylamino)propyl]carbamate;9H-fluoren-9-ylmethyl N-[(2S)-1-[[(3S)-3-methyl-2-oxopentyl]amino]-1,4-dioxo-4-(tritylamino)butan-2-yl]carbamate
PubChem CID159392341
Molecular FormulaC87H83N7O9
Molecular Weight1370.66 g/mol
Exact Mass1369.63
IUPAC Name9H-fluoren-9-ylmethyl N-[(1S)-1-[5-[(2S)-butan-2-yl]-1,3,4-oxadiazol-2-yl]-3-oxo-3-(tritylamino)propyl]carbamate;9H-fluoren-9-ylmethyl N-[(2S)-1-[[(3S)-3-methyl-2-oxopentyl]amino]-1,4-dioxo-4-(tritylamino)butan-2-yl]carbamate
SMILESCC[C@H](C)C(=O)CNC(=O)[C@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21.CC[C@H](C)c1nnc([C@H](CC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)o1
InChIInChI=1S/C44H43N3O5.C43H40N4O4/c1-3-30(2)40(48)28-45-42(50)39(46-43(51)52-29-38-36-25-15-13-23-34(36)35-24-14-16-26-37(35)38)27-41(49)47-44(31-17-7-4-8-18-31,32-19-9-5-10-20-32)33-21-11-6-12-22-33;1-3-29(2)40-46-47-41(51-40)38(44-42(49)50-28-37-35-25-15-13-23-33(35)34-24-14-16-26-36(34)37)27-39(48)45-43(30-17-7-4-8-18-30,31-19-9-5-10-20-31)32-21-11-6-12-22-32/h4-26,30,38-39H,3,27-29H2,1-2H3,(H,45,50)(H,46,51)(H,47,49);4-26,29,37-38H,3,27-28H2,1-2H3,(H,44,49)(H,45,48)/t30-,39-;29-,38-/m00/s1
InChIKeyLMGVEADJYPRXDV-ITPSIDJDSA-N
XLogP15.78
TPSA219.95 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds26
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001370.66
LogP ≤ 515.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 9H-fluoren-9-ylmethyl N-[(1S)-1-[5-[(2S)-butan-2-yl]-1,3,4-oxadiazol-2-yl]-3-oxo-3-(tritylamino)propyl]carbamate;9H-fluoren-9-ylmethyl N-[(2S)-1-[[(3S)-3-methyl-2-oxopentyl]amino]-1,4-dioxo-4-(tritylamino)butan-2-yl]carbamate with MolForge

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Related Compounds

trityl 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(tritylamino)butanoyl]amino]acetate
CID 175747669
6-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(tritylamino)butanoyl]amino]hexanoic acid
CID 101393129
2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(tritylamino)butanoic acid
CID 3536635
2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-(tritylamino)pentanoyl]amino]acetic acid
CID 175647881
methyl (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2,5-dioxo-5-(tritylamino)pentanoate
CID 101255450
(2S)-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-4-oxo-4-(tritylamino)butanoic acid
CID 176519040
(2,3,4,5,6-pentafluorophenyl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(tritylamino)butanoate
CID 15138257
tert-butyl N-[(5S)-7-amino-5-methyl-6-oxoheptyl]carbamate;tert-butyl N-[(5S)-7-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(tritylamino)butanoyl]amino]-5-methyl-6-oxoheptyl]carbamate;deuterio(fluoro)methane;(2S)-2-methyl-4-oxo-4-(tritylamino)butanoic acid
CID 161079517
(3S)-3-amino-3-[5-[(2S)-butan-2-yl]-1,3,4-oxadiazol-2-yl]-N-tritylpropanamide
CID 121464712
2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(tritylamino)butanoyl]-methylamino]ethylcarbamic acid
CID 146381788
11-[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(tritylamino)butanoyl]amino]-4-oxo-4-(tritylamino)butanoyl]oxyundecanoic acid
CID 101393139
9H-fluoren-9-ylmethyl N-[(2S,3S)-1-[[(2S,3R)-1-[[2-[[(3S)-1,4-dioxo-1-(tritylamino)pentan-3-yl]amino]-2-oxoethyl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 88900776

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(1S)-1-[5-[(2S)-butan-2-yl]-1,3,4-oxadiazol-2-yl]-3-oxo-3-(tritylamino)propyl]carbamate;9H-fluoren-9-ylmethyl N-[(2S)-1-[[(3S)-3-methyl-2-oxopentyl]amino]-1,4-dioxo-4-(tritylamino)butan-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(1S)-1-[5-[(2S)-butan-2-yl]-1,3,4-oxadiazol-2-yl]-3-oxo-3-(tritylamino)propyl]carbamate;9H-fluoren-9-ylmethyl N-[(2S)-1-[[(3S)-3-methyl-2-oxopentyl]amino]-1,4-dioxo-4-(tritylamino)butan-2-yl]carbamate (CID 159392341) is 9H-fluoren-9-ylmethyl N-[(1S)-1-[5-[(2S)-butan-2-yl]-1,3,4-oxadiazol-2-yl]-3-oxo-3-(tritylamino)propyl]carbamate;9H-fluoren-9-ylmethyl N-[(2S)-1-[[(3S)-3-methyl-2-oxopentyl]amino]-1,4-dioxo-4-(tritylamino)butan-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(1S)-1-[5-[(2S)-butan-2-yl]-1,3,4-oxadiazol-2-yl]-3-oxo-3-(tritylamino)propyl]carbamate;9H-fluoren-9-ylmethyl N-[(2S)-1-[[(3S)-3-methyl-2-oxopentyl]amino]-1,4-dioxo-4-(tritylamino)butan-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(1S)-1-[5-[(2S)-butan-2-yl]-1,3,4-oxadiazol-2-yl]-3-oxo-3-(tritylamino)propyl]carbamate;9H-fluoren-9-ylmethyl N-[(2S)-1-[[(3S)-3-methyl-2-oxopentyl]amino]-1,4-dioxo-4-(tritylamino)butan-2-yl]carbamate is CC[C@H](C)C(=O)CNC(=O)[C@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21.CC[C@H](C)c1nnc([C@H](CC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)o1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(1S)-1-[5-[(2S)-butan-2-yl]-1,3,4-oxadiazol-2-yl]-3-oxo-3-(tritylamino)propyl]carbamate;9H-fluoren-9-ylmethyl N-[(2S)-1-[[(3S)-3-methyl-2-oxopentyl]amino]-1,4-dioxo-4-(tritylamino)butan-2-yl]carbamate?
The InChIKey is LMGVEADJYPRXDV-ITPSIDJDSA-N. The full InChI is InChI=1S/C44H43N3O5.C43H40N4O4/c1-3-30(2)40(48)28-45-42(50)39(46-43(51)52-29-38-36-25-15-13-23-34(36)35-24-14-16-26-37(35)38)27-41(49)47-44(31-17-7-4-8-18-31,32-19-9-5-10-20-32)33-21-11-6-12-22-33;1-3-29(2)40-46-47-41(51-40)38(44-42(49)50-28-37-35-25-15-13-23-33(35)34-24-14-16-26-36(34)37)27-39(48)45-43(30-17-7-4-8-18-30,31-19-9-5-10-20-31)32-21-11-6-12-22-32/h4-26,30,38-39H,3,27-29H2,1-2H3,(H,45,50)(H,46,51)(H,47,49);4-26,29,37-38H,3,27-28H2,1-2H3,(H,44,49)(H,45,48)/t30-,39-;29-,38-/m00/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(1S)-1-[5-[(2S)-butan-2-yl]-1,3,4-oxadiazol-2-yl]-3-oxo-3-(tritylamino)propyl]carbamate;9H-fluoren-9-ylmethyl N-[(2S)-1-[[(3S)-3-methyl-2-oxopentyl]amino]-1,4-dioxo-4-(tritylamino)butan-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(1S)-1-[5-[(2S)-butan-2-yl]-1,3,4-oxadiazol-2-yl]-3-oxo-3-(tritylamino)propyl]carbamate;9H-fluoren-9-ylmethyl N-[(2S)-1-[[(3S)-3-methyl-2-oxopentyl]amino]-1,4-dioxo-4-(tritylamino)butan-2-yl]carbamate has a molecular weight of 1370.66 g/mol, XLogP of 15.78, 26 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(1S)-1-[5-[(2S)-butan-2-yl]-1,3,4-oxadiazol-2-yl]-3-oxo-3-(tritylamino)propyl]carbamate;9H-fluoren-9-ylmethyl N-[(2S)-1-[[(3S)-3-methyl-2-oxopentyl]amino]-1,4-dioxo-4-(tritylamino)butan-2-yl]carbamate is sourced from PubChem (CID 159392341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).