9H-fluoren-9-ylmethyl N-[(2S)-1-[[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[(2S)-1-[[(1S)-1-[1-[4-[[4-[(2S,5S)-5-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-1,4-dioxo-1-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]hexan-2-yl]piperidine-1-carbonyl]amino]butylcarbamoyl]piperidin-4-yl]-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate

C134H142N18O14S3 — CID 123613016

About 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[(2S)-1-[[(1S)-1-[1-[4-[[4-[(2S,5S)-5-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-1,4-dioxo-1-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]hexan-2-yl]piperidine-1-carbonyl]amino]butylcarbamoyl]piperidin-4-yl]-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate

9H-fluoren-9-ylmethyl N-[(2S)-1-[[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[(2S)-1-[[(1S)-1-[1-[4-[[4-[(2S,5S)-5-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-1,4-dioxo-1-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]hexan-2-yl]piperidine-1-carbonyl]amino]butylcarbamoyl]piperidin-4-yl]-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate (PubChem CID 123613016) has the molecular formula C134H142N18O14S3 and a molecular weight of 2324.92 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[(2S)-1-[[(1S)-1-[1-[4-[[4-[(2S,5S)-5-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-1,4-dioxo-1-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]hexan-2-yl]piperidine-1-carbonyl]amino]butylcarbamoyl]piperidin-4-yl]-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[(2S)-1-[[(1S)-1-[1-[4-[[4-[(2S,5S)-5-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-1,4-dioxo-1-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]hexan-2-yl]piperidine-1-carbonyl]amino]butylcarbamoyl]piperidin-4-yl]-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate
• PubChem CID: 123613016
• Molecular Formula: C134H142N18O14S3
• Molecular Weight: 2324.92 g/mol
• Exact Mass: 2323.01
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[(2S)-1-[[(1S)-1-[1-[4-[[4-[(2S,5S)-5-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-1,4-dioxo-1-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]hexan-2-yl]piperidine-1-carbonyl]amino]butylcarbamoyl]piperidin-4-yl]-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate
• SMILES: C[C@@H](C(=O)C[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3)nccc2s1)C1CCN(C(=O)NCCCCNC(=O)N2CCC([C@H](NC(=O)[C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)C(=O)N3CCC[C@H]3c3nc4c(-c5ccccc5)nccc4s3)CC2)CC1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21.C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3)nccc2s1)C1CCCCC1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C91H97N13O10S2.C43H45N5O4S/c1-56(99(3)90(111)113-54-71-66-31-15-11-27-62(66)63-28-12-16-32-67(63)71)75(105)53-70(86(107)103-47-21-35-73(103)84-97-81-76(115-84)37-45-92-78(81)59-23-7-5-8-24-59)58-39-49-101(50-40-58)88(109)94-43-19-20-44-95-89(110)102-51-41-61(42-52-102)80(87(108)104-48-22-36-74(104)85-98-82-77(116-85)38-46-93-79(82)60-25-9-6-10-26-60)96-83(106)57(2)100(4)91(112)114-55-72-68-33-17-13-29-64(68)65-30-14-18-34-69(65)72;1-27(47(2)43(51)52-26-34-32-20-11-9-18-30(32)31-19-10-12-21-33(31)34)40(49)45-38(29-16-7-4-8-17-29)42(50)48-25-13-22-35(48)41-46-39-36(53-41)23-24-44-37(39)28-14-5-3-6-15-28/h5-18,23-34,37-38,45-46,56-58,61,70-74,80H,19-22,35-36,39-44,47-55H2,1-4H3,(H,94,109)(H,95,110)(H,96,106);3,5-6,9-12,14-15,18-21,23-24,27,29,34-35,38H,4,7-8,13,16-17,22,25-26H2,1-2H3,(H,45,49)/t56-,57-,70-,73-,74-,80-;27-,35-,38-/m00/s1
• InChIKey: IJAVTEZADXOYFR-LCTPSZITSA-N
• XLogP: 23.64
• TPSA: 366.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 33
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2324.92
LogP ≤ 5	23.64
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[(2S)-1-[[(1S)-1-[1-[4-[[4-[(2S,5S)-5-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-1,4-dioxo-1-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]hexan-2-yl]piperidine-1-carbonyl]amino]butylcarbamoyl]piperidin-4-yl]-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[(2S)-1-[[(1S)-1-[1-[4-[[4-[(2S,5S)-5-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-1,4-dioxo-1-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]hexan-2-yl]piperidine-1-carbonyl]amino]butylcarbamoyl]piperidin-4-yl]-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate (CID 123613016) is 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[(2S)-1-[[(1S)-1-[1-[4-[[4-[(2S,5S)-5-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-1,4-dioxo-1-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]hexan-2-yl]piperidine-1-carbonyl]amino]butylcarbamoyl]piperidin-4-yl]-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[(2S)-1-[[(1S)-1-[1-[4-[[4-[(2S,5S)-5-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-1,4-dioxo-1-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]hexan-2-yl]piperidine-1-carbonyl]amino]butylcarbamoyl]piperidin-4-yl]-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[(2S)-1-[[(1S)-1-[1-[4-[[4-[(2S,5S)-5-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-1,4-dioxo-1-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]hexan-2-yl]piperidine-1-carbonyl]amino]butylcarbamoyl]piperidin-4-yl]-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate is C[C@@H](C(=O)C[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3)nccc2s1)C1CCN(C(=O)NCCCCNC(=O)N2CCC([C@H](NC(=O)[C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)C(=O)N3CCC[C@H]3c3nc4c(-c5ccccc5)nccc4s3)CC2)CC1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21.C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3)nccc2s1)C1CCCCC1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[(2S)-1-[[(1S)-1-[1-[4-[[4-[(2S,5S)-5-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-1,4-dioxo-1-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]hexan-2-yl]piperidine-1-carbonyl]amino]butylcarbamoyl]piperidin-4-yl]-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate?

The InChIKey is IJAVTEZADXOYFR-LCTPSZITSA-N. The full InChI is InChI=1S/C91H97N13O10S2.C43H45N5O4S/c1-56(99(3)90(111)113-54-71-66-31-15-11-27-62(66)63-28-12-16-32-67(63)71)75(105)53-70(86(107)103-47-21-35-73(103)84-97-81-76(115-84)37-45-92-78(81)59-23-7-5-8-24-59)58-39-49-101(50-40-58)88(109)94-43-19-20-44-95-89(110)102-51-41-61(42-52-102)80(87(108)104-48-22-36-74(104)85-98-82-77(116-85)38-46-93-79(82)60-25-9-6-10-26-60)96-83(106)57(2)100(4)91(112)114-55-72-68-33-17-13-29-64(68)65-30-14-18-34-69(65)72;1-27(47(2)43(51)52-26-34-32-20-11-9-18-30(32)31-19-10-12-21-33(31)34)40(49)45-38(29-16-7-4-8-17-29)42(50)48-25-13-22-35(48)41-46-39-36(53-41)23-24-44-37(39)28-14-5-3-6-15-28/h5-18,23-34,37-38,45-46,56-58,61,70-74,80H,19-22,35-36,39-44,47-55H2,1-4H3,(H,94,109)(H,95,110)(H,96,106);3,5-6,9-12,14-15,18-21,23-24,27,29,34-35,38H,4,7-8,13,16-17,22,25-26H2,1-2H3,(H,45,49)/t56-,57-,70-,73-,74-,80-;27-,35-,38-/m00/s1.

What are the key properties of 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[(2S)-1-[[(1S)-1-[1-[4-[[4-[(2S,5S)-5-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-1,4-dioxo-1-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]hexan-2-yl]piperidine-1-carbonyl]amino]butylcarbamoyl]piperidin-4-yl]-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate?

9H-fluoren-9-ylmethyl N-[(2S)-1-[[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[(2S)-1-[[(1S)-1-[1-[4-[[4-[(2S,5S)-5-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-1,4-dioxo-1-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]hexan-2-yl]piperidine-1-carbonyl]amino]butylcarbamoyl]piperidin-4-yl]-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate has a molecular weight of 2324.92 g/mol, XLogP of 23.64, 33 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[(2S)-1-[[(1S)-1-[1-[4-[[4-[(2S,5S)-5-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-1,4-dioxo-1-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]hexan-2-yl]piperidine-1-carbonyl]amino]butylcarbamoyl]piperidin-4-yl]-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 123613016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).