9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2S)-1-amino-5-[[(2S)-1-[[(2S)-1-amino-6-diazo-1,5-dioxohexan-2-yl]amino]-6-diazo-1,5-dioxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate

C43H45N11O9 — CID 171550325

About 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2S)-1-amino-5-[[(2S)-1-[[(2S)-1-amino-6-diazo-1,5-dioxohexan-2-yl]amino]-6-diazo-1,5-dioxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2S)-1-amino-5-[[(2S)-1-[[(2S)-1-amino-6-diazo-1,5-dioxohexan-2-yl]amino]-6-diazo-1,5-dioxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate (PubChem CID 171550325) has the molecular formula C43H45N11O9 and a molecular weight of 859.90 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2S)-1-amino-5-[[(2S)-1-[[(2S)-1-amino-6-diazo-1,5-dioxohexan-2-yl]amino]-6-diazo-1,5-dioxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2S)-1-amino-5-[[(2S)-1-[[(2S)-1-amino-6-diazo-1,5-dioxohexan-2-yl]amino]-6-diazo-1,5-dioxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
• PubChem CID: 171550325
• Molecular Formula: C43H45N11O9
• Molecular Weight: 859.90 g/mol
• Exact Mass: 859.34
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2S)-1-amino-5-[[(2S)-1-[[(2S)-1-amino-6-diazo-1,5-dioxohexan-2-yl]amino]-6-diazo-1,5-dioxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
• SMILES: [N-]=[N+]=CC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)C=[N+]=[N-])NC(=O)CC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O)C(N)=O
• InChI: InChI=1S/C43H45N11O9/c44-39(58)34(15-13-25(55)21-49-46)52-41(60)36(16-14-26(56)22-50-47)51-38(57)18-17-35(40(45)59)53-42(61)37(19-24-20-48-33-12-6-5-7-27(24)33)54-43(62)63-23-32-30-10-3-1-8-28(30)29-9-2-4-11-31(29)32/h1-12,20-22,32,34-37,48H,13-19,23H2,(H2,44,58)(H2,45,59)(H,51,57)(H,52,60)(H,53,61)(H,54,62)/t34-,35-,36-,37-/m0/s1
• InChIKey: NRJOVLXOWZKWGJ-BQYLNSIHSA-N
• XLogP: 1.12
• TPSA: 334.54 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 9
• Rotatable Bonds: 23
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	859.90
LogP ≤ 5	1.12
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2S)-1-amino-5-[[(2S)-1-[[(2S)-1-amino-6-diazo-1,5-dioxohexan-2-yl]amino]-6-diazo-1,5-dioxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2S)-1-amino-5-[[(2S)-1-[[(2S)-1-amino-6-diazo-1,5-dioxohexan-2-yl]amino]-6-diazo-1,5-dioxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate (CID 171550325) is 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2S)-1-amino-5-[[(2S)-1-[[(2S)-1-amino-6-diazo-1,5-dioxohexan-2-yl]amino]-6-diazo-1,5-dioxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2S)-1-amino-5-[[(2S)-1-[[(2S)-1-amino-6-diazo-1,5-dioxohexan-2-yl]amino]-6-diazo-1,5-dioxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2S)-1-amino-5-[[(2S)-1-[[(2S)-1-amino-6-diazo-1,5-dioxohexan-2-yl]amino]-6-diazo-1,5-dioxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate is [N-]=[N+]=CC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)C=[N+]=[N-])NC(=O)CC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O)C(N)=O.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2S)-1-amino-5-[[(2S)-1-[[(2S)-1-amino-6-diazo-1,5-dioxohexan-2-yl]amino]-6-diazo-1,5-dioxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate?

The InChIKey is NRJOVLXOWZKWGJ-BQYLNSIHSA-N. The full InChI is InChI=1S/C43H45N11O9/c44-39(58)34(15-13-25(55)21-49-46)52-41(60)36(16-14-26(56)22-50-47)51-38(57)18-17-35(40(45)59)53-42(61)37(19-24-20-48-33-12-6-5-7-27(24)33)54-43(62)63-23-32-30-10-3-1-8-28(30)29-9-2-4-11-31(29)32/h1-12,20-22,32,34-37,48H,13-19,23H2,(H2,44,58)(H2,45,59)(H,51,57)(H,52,60)(H,53,61)(H,54,62)/t34-,35-,36-,37-/m0/s1.

What are the key properties of 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2S)-1-amino-5-[[(2S)-1-[[(2S)-1-amino-6-diazo-1,5-dioxohexan-2-yl]amino]-6-diazo-1,5-dioxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate?

9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2S)-1-amino-5-[[(2S)-1-[[(2S)-1-amino-6-diazo-1,5-dioxohexan-2-yl]amino]-6-diazo-1,5-dioxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate has a molecular weight of 859.90 g/mol, XLogP of 1.12, 23 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2S)-1-amino-5-[[(2S)-1-[[(2S)-1-amino-6-diazo-1,5-dioxohexan-2-yl]amino]-6-diazo-1,5-dioxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 171550325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).