9H-fluoren-9-ylmethyl N-[(1S)-1-cyclohexyl-2-[[(2S)-3-cyclopropyl-1-[[2-hydroxy-1-oxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenyl-2-(phosphanylamino)ethyl]amino]ethyl]amino]hexan-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate

C45H57N6O8P — CID 58785940

About 9H-fluoren-9-ylmethyl N-[(1S)-1-cyclohexyl-2-[[(2S)-3-cyclopropyl-1-[[2-hydroxy-1-oxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenyl-2-(phosphanylamino)ethyl]amino]ethyl]amino]hexan-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate

9H-fluoren-9-ylmethyl N-[(1S)-1-cyclohexyl-2-[[(2S)-3-cyclopropyl-1-[[2-hydroxy-1-oxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenyl-2-(phosphanylamino)ethyl]amino]ethyl]amino]hexan-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate (PubChem CID 58785940) has the molecular formula C45H57N6O8P and a molecular weight of 840.96 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(1S)-1-cyclohexyl-2-[[(2S)-3-cyclopropyl-1-[[2-hydroxy-1-oxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenyl-2-(phosphanylamino)ethyl]amino]ethyl]amino]hexan-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[(1S)-1-cyclohexyl-2-[[(2S)-3-cyclopropyl-1-[[2-hydroxy-1-oxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenyl-2-(phosphanylamino)ethyl]amino]ethyl]amino]hexan-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate
• PubChem CID: 58785940
• Molecular Formula: C45H57N6O8P
• Molecular Weight: 840.96 g/mol
• Exact Mass: 840.40
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[(1S)-1-cyclohexyl-2-[[(2S)-3-cyclopropyl-1-[[2-hydroxy-1-oxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenyl-2-(phosphanylamino)ethyl]amino]ethyl]amino]hexan-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate
• SMILES: CCCC(NC(=O)[C@H](CC1CC1)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1)C(O)C(=O)NCC(=O)N[C@H](C(=O)NP)c1ccccc1
• InChI: InChI=1S/C45H57N6O8P/c1-2-13-35(40(53)44(57)46-25-37(52)49-39(43(56)51-60)29-16-7-4-8-17-29)47-41(54)36(24-27-22-23-27)48-42(55)38(28-14-5-3-6-15-28)50-45(58)59-26-34-32-20-11-9-18-30(32)31-19-10-12-21-33(31)34/h4,7-12,16-21,27-28,34-36,38-40,53H,2-3,5-6,13-15,22-26,60H2,1H3,(H,46,57)(H,47,54)(H,48,55)(H,49,52)(H,50,58)(H,51,56)/t35?,36-,38-,39-,40?/m0/s1
• InChIKey: BMPJPPUYDVMWQW-SJKQOMHASA-N
• XLogP: 4.28
• TPSA: 204.06 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 8
• Rotatable Bonds: 19
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	840.96
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(1S)-1-cyclohexyl-2-[[(2S)-3-cyclopropyl-1-[[2-hydroxy-1-oxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenyl-2-(phosphanylamino)ethyl]amino]ethyl]amino]hexan-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[(1S)-1-cyclohexyl-2-[[(2S)-3-cyclopropyl-1-[[2-hydroxy-1-oxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenyl-2-(phosphanylamino)ethyl]amino]ethyl]amino]hexan-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate (CID 58785940) is 9H-fluoren-9-ylmethyl N-[(1S)-1-cyclohexyl-2-[[(2S)-3-cyclopropyl-1-[[2-hydroxy-1-oxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenyl-2-(phosphanylamino)ethyl]amino]ethyl]amino]hexan-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(1S)-1-cyclohexyl-2-[[(2S)-3-cyclopropyl-1-[[2-hydroxy-1-oxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenyl-2-(phosphanylamino)ethyl]amino]ethyl]amino]hexan-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(1S)-1-cyclohexyl-2-[[(2S)-3-cyclopropyl-1-[[2-hydroxy-1-oxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenyl-2-(phosphanylamino)ethyl]amino]ethyl]amino]hexan-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate is CCCC(NC(=O)[C@H](CC1CC1)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1)C(O)C(=O)NCC(=O)N[C@H](C(=O)NP)c1ccccc1.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(1S)-1-cyclohexyl-2-[[(2S)-3-cyclopropyl-1-[[2-hydroxy-1-oxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenyl-2-(phosphanylamino)ethyl]amino]ethyl]amino]hexan-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate?

The InChIKey is BMPJPPUYDVMWQW-SJKQOMHASA-N. The full InChI is InChI=1S/C45H57N6O8P/c1-2-13-35(40(53)44(57)46-25-37(52)49-39(43(56)51-60)29-16-7-4-8-17-29)47-41(54)36(24-27-22-23-27)48-42(55)38(28-14-5-3-6-15-28)50-45(58)59-26-34-32-20-11-9-18-30(32)31-19-10-12-21-33(31)34/h4,7-12,16-21,27-28,34-36,38-40,53H,2-3,5-6,13-15,22-26,60H2,1H3,(H,46,57)(H,47,54)(H,48,55)(H,49,52)(H,50,58)(H,51,56)/t35?,36-,38-,39-,40?/m0/s1.

What are the key properties of 9H-fluoren-9-ylmethyl N-[(1S)-1-cyclohexyl-2-[[(2S)-3-cyclopropyl-1-[[2-hydroxy-1-oxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenyl-2-(phosphanylamino)ethyl]amino]ethyl]amino]hexan-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate?

9H-fluoren-9-ylmethyl N-[(1S)-1-cyclohexyl-2-[[(2S)-3-cyclopropyl-1-[[2-hydroxy-1-oxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenyl-2-(phosphanylamino)ethyl]amino]ethyl]amino]hexan-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate has a molecular weight of 840.96 g/mol, XLogP of 4.28, 19 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[(1S)-1-cyclohexyl-2-[[(2S)-3-cyclopropyl-1-[[2-hydroxy-1-oxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenyl-2-(phosphanylamino)ethyl]amino]ethyl]amino]hexan-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 58785940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).