9H-fluoren-9-ylmethyl N-[(2S)-1-[[1-[[(2S)-1-[[4-(3H-inden-1-yl)-3-oxo-1-phenylbutan-2-yl]amino]-1-oxo-3-phenylmethoxybutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

C59H60N4O7 — CID 174181057

About 9H-fluoren-9-ylmethyl N-[(2S)-1-[[1-[[(2S)-1-[[4-(3H-inden-1-yl)-3-oxo-1-phenylbutan-2-yl]amino]-1-oxo-3-phenylmethoxybutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[(2S)-1-[[1-[[(2S)-1-[[4-(3H-inden-1-yl)-3-oxo-1-phenylbutan-2-yl]amino]-1-oxo-3-phenylmethoxybutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate (PubChem CID 174181057) has the molecular formula C59H60N4O7 and a molecular weight of 937.15 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2S)-1-[[1-[[(2S)-1-[[4-(3H-inden-1-yl)-3-oxo-1-phenylbutan-2-yl]amino]-1-oxo-3-phenylmethoxybutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[(2S)-1-[[1-[[(2S)-1-[[4-(3H-inden-1-yl)-3-oxo-1-phenylbutan-2-yl]amino]-1-oxo-3-phenylmethoxybutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
• PubChem CID: 174181057
• Molecular Formula: C59H60N4O7
• Molecular Weight: 937.15 g/mol
• Exact Mass: 936.45
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[(2S)-1-[[1-[[(2S)-1-[[4-(3H-inden-1-yl)-3-oxo-1-phenylbutan-2-yl]amino]-1-oxo-3-phenylmethoxybutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
• SMILES: CC(C)C(NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C(=O)NC(Cc1ccccc1)C(=O)CC1=CCc2ccccc21)C(C)OCc1ccccc1
• InChI: InChI=1S/C59H60N4O7/c1-38(2)54(62-56(65)52(34-41-21-9-5-10-22-41)61-59(68)70-37-50-48-29-17-15-27-46(48)47-28-16-18-30-49(47)50)57(66)63-55(39(3)69-36-42-23-11-6-12-24-42)58(67)60-51(33-40-19-7-4-8-20-40)53(64)35-44-32-31-43-25-13-14-26-45(43)44/h4-30,32,38-39,50-52,54-55H,31,33-37H2,1-3H3,(H,60,67)(H,61,68)(H,62,65)(H,63,66)/t39?,51?,52-,54?,55-/m0/s1
• InChIKey: SBFGAXPGEJASBY-JWHWXCSPSA-N
• XLogP: 8.69
• TPSA: 151.93 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 21
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	937.15
LogP ≤ 5	8.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-1-[[1-[[(2S)-1-[[4-(3H-inden-1-yl)-3-oxo-1-phenylbutan-2-yl]amino]-1-oxo-3-phenylmethoxybutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-1-[[1-[[(2S)-1-[[4-(3H-inden-1-yl)-3-oxo-1-phenylbutan-2-yl]amino]-1-oxo-3-phenylmethoxybutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate (CID 174181057) is 9H-fluoren-9-ylmethyl N-[(2S)-1-[[1-[[(2S)-1-[[4-(3H-inden-1-yl)-3-oxo-1-phenylbutan-2-yl]amino]-1-oxo-3-phenylmethoxybutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2S)-1-[[1-[[(2S)-1-[[4-(3H-inden-1-yl)-3-oxo-1-phenylbutan-2-yl]amino]-1-oxo-3-phenylmethoxybutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2S)-1-[[1-[[(2S)-1-[[4-(3H-inden-1-yl)-3-oxo-1-phenylbutan-2-yl]amino]-1-oxo-3-phenylmethoxybutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate is CC(C)C(NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C(=O)NC(Cc1ccccc1)C(=O)CC1=CCc2ccccc21)C(C)OCc1ccccc1.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2S)-1-[[1-[[(2S)-1-[[4-(3H-inden-1-yl)-3-oxo-1-phenylbutan-2-yl]amino]-1-oxo-3-phenylmethoxybutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate?

The InChIKey is SBFGAXPGEJASBY-JWHWXCSPSA-N. The full InChI is InChI=1S/C59H60N4O7/c1-38(2)54(62-56(65)52(34-41-21-9-5-10-22-41)61-59(68)70-37-50-48-29-17-15-27-46(48)47-28-16-18-30-49(47)50)57(66)63-55(39(3)69-36-42-23-11-6-12-24-42)58(67)60-51(33-40-19-7-4-8-20-40)53(64)35-44-32-31-43-25-13-14-26-45(43)44/h4-30,32,38-39,50-52,54-55H,31,33-37H2,1-3H3,(H,60,67)(H,61,68)(H,62,65)(H,63,66)/t39?,51?,52-,54?,55-/m0/s1.

What are the key properties of 9H-fluoren-9-ylmethyl N-[(2S)-1-[[1-[[(2S)-1-[[4-(3H-inden-1-yl)-3-oxo-1-phenylbutan-2-yl]amino]-1-oxo-3-phenylmethoxybutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate?

9H-fluoren-9-ylmethyl N-[(2S)-1-[[1-[[(2S)-1-[[4-(3H-inden-1-yl)-3-oxo-1-phenylbutan-2-yl]amino]-1-oxo-3-phenylmethoxybutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate has a molecular weight of 937.15 g/mol, XLogP of 8.69, 21 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[(2S)-1-[[1-[[(2S)-1-[[4-(3H-inden-1-yl)-3-oxo-1-phenylbutan-2-yl]amino]-1-oxo-3-phenylmethoxybutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 174181057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).