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

C55H63N5O8 — CID 88900776

About 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

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 (PubChem CID 88900776) has the molecular formula C55H63N5O8 and a molecular weight of 922.14 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 88900776
• Molecular Formula: C55H63N5O8
• Molecular Weight: 922.14 g/mol
• Exact Mass: 921.47
• IUPAC Name: 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
• SMILES: CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)=O)[C@@H](C)OC(C)(C)C
• InChI: InChI=1S/C55H63N5O8/c1-8-35(2)49(59-53(66)67-34-45-43-30-20-18-28-41(43)42-29-19-21-31-44(42)45)52(65)58-50(37(4)68-54(5,6)7)51(64)56-33-48(63)57-46(36(3)61)32-47(62)60-55(38-22-12-9-13-23-38,39-24-14-10-15-25-39)40-26-16-11-17-27-40/h9-31,35,37,45-46,49-50H,8,32-34H2,1-7H3,(H,56,64)(H,57,63)(H,58,65)(H,59,66)(H,60,62)/t35-,37+,46-,49-,50-/m0/s1
• InChIKey: FLCPVHATQHIIKR-QQHYVDQOSA-N
• XLogP: 7.32
• TPSA: 181.03 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 20
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	922.14
LogP ≤ 5	7.32
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)=O)[C@@H](C)OC(C)(C)C.

What is the InChIKey of 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?

The InChIKey is FLCPVHATQHIIKR-QQHYVDQOSA-N. The full InChI is InChI=1S/C55H63N5O8/c1-8-35(2)49(59-53(66)67-34-45-43-30-20-18-28-41(43)42-29-19-21-31-44(42)45)52(65)58-50(37(4)68-54(5,6)7)51(64)56-33-48(63)57-46(36(3)61)32-47(62)60-55(38-22-12-9-13-23-38,39-24-14-10-15-25-39)40-26-16-11-17-27-40/h9-31,35,37,45-46,49-50H,8,32-34H2,1-7H3,(H,56,64)(H,57,63)(H,58,65)(H,59,66)(H,60,62)/t35-,37+,46-,49-,50-/m0/s1.

What are the key properties of 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?

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 has a molecular weight of 922.14 g/mol, XLogP of 7.32, 20 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 88900776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).