9H-fluoren-9-ylmethyl-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid

C35H33N3O4 — CID 129277382

About 9H-fluoren-9-ylmethyl-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid

9H-fluoren-9-ylmethyl-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid (PubChem CID 129277382) has the molecular formula C35H33N3O4 and a molecular weight of 559.67 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid
• PubChem CID: 129277382
• Molecular Formula: C35H33N3O4
• Molecular Weight: 559.67 g/mol
• Exact Mass: 559.25
• IUPAC Name: 9H-fluoren-9-ylmethyl-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid
• SMILES: O=C(N[C@@H](CO)Cc1ccccc1)[C@H](Cc1c[nH]c2ccccc12)N(CC1c2ccccc2-c2ccccc21)C(=O)O
• InChI: InChI=1S/C35H33N3O4/c39-22-25(18-23-10-2-1-3-11-23)37-34(40)33(19-24-20-36-32-17-9-8-12-26(24)32)38(35(41)42)21-31-29-15-6-4-13-27(29)28-14-5-7-16-30(28)31/h1-17,20,25,31,33,36,39H,18-19,21-22H2,(H,37,40)(H,41,42)/t25-,33+/m1/s1
• InChIKey: AHZJDKQQUWVOKX-HPMVVLTCSA-N
• XLogP: 5.59
• TPSA: 105.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.67
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid?

The IUPAC name of 9H-fluoren-9-ylmethyl-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid (CID 129277382) is 9H-fluoren-9-ylmethyl-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid.

What is the SMILES notation for 9H-fluoren-9-ylmethyl-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid?

The canonical SMILES for 9H-fluoren-9-ylmethyl-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid is O=C(N[C@@H](CO)Cc1ccccc1)[C@H](Cc1c[nH]c2ccccc12)N(CC1c2ccccc2-c2ccccc21)C(=O)O.

What is the InChIKey of 9H-fluoren-9-ylmethyl-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid?

The InChIKey is AHZJDKQQUWVOKX-HPMVVLTCSA-N. The full InChI is InChI=1S/C35H33N3O4/c39-22-25(18-23-10-2-1-3-11-23)37-34(40)33(19-24-20-36-32-17-9-8-12-26(24)32)38(35(41)42)21-31-29-15-6-4-13-27(29)28-14-5-7-16-30(28)31/h1-17,20,25,31,33,36,39H,18-19,21-22H2,(H,37,40)(H,41,42)/t25-,33+/m1/s1.

What are the key properties of 9H-fluoren-9-ylmethyl-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid?

9H-fluoren-9-ylmethyl-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid has a molecular weight of 559.67 g/mol, XLogP of 5.59, 10 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 129277382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).