9H-fluoren-9-ylmethyl N-[(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutyl]carbamate

C34H35N3O3 — CID 10722877

IUPAC9H-fluoren-9-ylmethyl N-[(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutyl]carbamate
SMILESN[C@@H](Cc1ccccc1)C(=O)N[C@H](CCc1ccccc1)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C34H35N3O3/c35-32(21-25-13-5-2-6-14-25)33(38)37-26(20-19-24-11-3-1-4-12-24)22-36-34(39)40-23-31-29-17-9-7-15-27(29)28-16-8-10-18-30(28)31/h1-18,26,31-32H,19-23,35H2,(H,36,39)(H,37,38)/t26-,32+/m1/s1
InChIKeyCBVXLXYTJSRIKI-DICHSLLOSA-N
MW533.67 g/mol
LogP5.21
Rot. Bonds11

About 9H-fluoren-9-ylmethyl N-[(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutyl]carbamate

9H-fluoren-9-ylmethyl N-[(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutyl]carbamate (PubChem CID 10722877) has the molecular formula C34H35N3O3 and a molecular weight of 533.67 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutyl]carbamate
PubChem CID10722877
Molecular FormulaC34H35N3O3
Molecular Weight533.67 g/mol
Exact Mass533.27
IUPAC Name9H-fluoren-9-ylmethyl N-[(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutyl]carbamate
SMILESN[C@@H](Cc1ccccc1)C(=O)N[C@H](CCc1ccccc1)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C34H35N3O3/c35-32(21-25-13-5-2-6-14-25)33(38)37-26(20-19-24-11-3-1-4-12-24)22-36-34(39)40-23-31-29-17-9-7-15-27(29)28-16-8-10-18-30(28)31/h1-18,26,31-32H,19-23,35H2,(H,36,39)(H,37,38)/t26-,32+/m1/s1
InChIKeyCBVXLXYTJSRIKI-DICHSLLOSA-N
XLogP5.21
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.67
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 9H-fluoren-9-ylmethyl N-[(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutyl]carbamate with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl N-[(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-(3,4-difluorophenyl)propyl]carbamate
CID 10580308
9H-fluoren-9-ylmethyl N-[(2R)-1-hydroxy-4-phenylbutan-2-yl]carbamate
CID 155904032
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-phenylpentanoic acid
CID 2761612
9H-fluoren-9-ylmethyl N-[1-[[1-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-3-hydroxypropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 10395683
9H-fluoren-9-ylmethyl N-[(5S)-6-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-[[(2S)-2-amino-3-phenylpropanoyl]amino]-6-oxohexyl]carbamate
CID 102315830
4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(phenylmethoxycarbonylamino)butanoic acid
CID 3337413
ethane;9H-fluoren-9-ylmethyl N-(3-oxo-1-phenylbutan-2-yl)carbamate
CID 172641438
9H-fluoren-9-ylmethyl N-[(2S)-1-[[5-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-1-hydroxypentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 10653164
9H-fluoren-9-ylmethyl N-(2-amino-5-hydroxy-3-oxopentyl)carbamate
CID 161493438
9H-fluoren-9-ylmethyl N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamate
CID 2451967
9H-fluoren-9-ylmethyl (2S)-2-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoate
CID 132525640
9H-fluoren-9-ylmethyl N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 58868035

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutyl]carbamate (CID 10722877) is 9H-fluoren-9-ylmethyl N-[(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutyl]carbamate is N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCc1ccccc1)CNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutyl]carbamate?
The InChIKey is CBVXLXYTJSRIKI-DICHSLLOSA-N. The full InChI is InChI=1S/C34H35N3O3/c35-32(21-25-13-5-2-6-14-25)33(38)37-26(20-19-24-11-3-1-4-12-24)22-36-34(39)40-23-31-29-17-9-7-15-27(29)28-16-8-10-18-30(28)31/h1-18,26,31-32H,19-23,35H2,(H,36,39)(H,37,38)/t26-,32+/m1/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutyl]carbamate?
9H-fluoren-9-ylmethyl N-[(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutyl]carbamate has a molecular weight of 533.67 g/mol, XLogP of 5.21, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutyl]carbamate is sourced from PubChem (CID 10722877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).