CAS
95503-21-2 Purity
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95503-21-2 Purity
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(4S,5R)-3-(Fmoc-leu)-2,2,5-trimethyl-oxazolidine-4-carboxylic acid
CAS
955048-89-2
Catalog Number
ACM955048892
Category
Other Products
Molecular Weight
494.59
Molecular Formula
C28H34N2O6
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Specification
Synonyms
Fmoc-Leu-Thr{psi(Me,Me)pro}-OH, 955048-89-2, CF-1364
IUPAC Name
(4S)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid
Canonical SMILES
CC1C(N(C(O1)(C)C)C(=O)C(CC(C)C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI Key
OTDJFZHIGWFIEW-BLFAFILHSA-N
Exact Mass
494.24200
H-Bond Acceptor
6
H-Bond Donor
2
What is the molecular formula of (4S,5R)-3-(Fmoc-leu)-2,2,5-trimethyl-oxazolidine-4-carboxylic acid?
The molecular formula is C28H34N2O6.
What are the synonyms of (4S,5R)-3-(Fmoc-leu)-2,2,5-trimethyl-oxazolidine-4-carboxylic acid?
The synonyms are (4S,5R)-3-(Fmoc-Leu)-2,2,5-trimethyl-oxazolidine-4-carboxylic acid.
What is the molecular weight of (4S,5R)-3-(Fmoc-leu)-2,2,5-trimethyl-oxazolidine-4-carboxylic acid?
The molecular weight is 494.6 g/mol.
What is the IUPAC name of (4S,5R)-3-(Fmoc-leu)-2,2,5-trimethyl-oxazolidine-4-carboxylic acid?
The IUPAC name is 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid.
What is the InChI of (4S,5R)-3-(Fmoc-leu)-2,2,5-trimethyl-oxazolidine-4-carboxylic acid?
The InChI is InChI=1S/C28H34N2O6/c1-16(2)14-23(25(31)30-24(26(32)33)17(3)36-28(30,4)5)29-27(34)35-15-22-20-12-8-6-10-18(20)19-11-7-9-13-21(19)22/h6-13,16-17,22-24H,14-15H2,1-5H3,(H,29,34)(H,32,33).
What is the InChIKey of (4S,5R)-3-(Fmoc-leu)-2,2,5-trimethyl-oxazolidine-4-carboxylic acid?
The InChIKey is OTDJFZHIGWFIEW-UHFFFAOYSA-N.
What is the Canonical SMILES of (4S,5R)-3-(Fmoc-leu)-2,2,5-trimethyl-oxazolidine-4-carboxylic acid?
The Canonical SMILES is CC1C(N(C(O1)(C)C)C(=O)C(CC(C)C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O.
What is the XLogP3-AA value of (4S,5R)-3-(Fmoc-leu)-2,2,5-trimethyl-oxazolidine-4-carboxylic acid?
The XLogP3-AA value is 4.7.
How many hydrogen bond donor counts does (4S,5R)-3-(Fmoc-leu)-2,2,5-trimethyl-oxazolidine-4-carboxylic acid have?
It has 2 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does (4S,5R)-3-(Fmoc-leu)-2,2,5-trimethyl-oxazolidine-4-carboxylic acid have?
It has 6 hydrogen bond acceptor counts.
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