(4S,5R)-3-(Fmoc-lys(boc))-2,2,5-trimethyl-oxazolidine-4-carboxylic acid

CAS

911838-56-7

Catalog Number

ACM911838567

Category

Other Products

Molecular Weight

609.72

Molecular Formula

C₃₃H₄₃N₃O₈

MSDS COA Spec Sheet

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Specification

Synonyms

(4S,5R)-3-(N-alpha-(9-fluorenylmethyloxycarbonyl)-N-epsilon-tert-butyloxycarbonyl-L-lysinyl)-2,2,5-trimethyloxazolidine-4-carboxylic acid;Fmoc-Lys(Boc)-Thr(Psi(Me,Me)pro)-OH

IUPAC Name

(4S,5R)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid

Canonical SMILES

CC1C(N(C(O1)(C)C)C(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O

InChI Key

JAHDJVRHKPYPNY-PHXCCWLDSA-N

Exact Mass

609.30500

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of the compound?

The molecular formula of the compound is C33H43N3O8.

When was the compound created and when was it last modified?

The compound was created on 2016-01-30 and last modified on 2023-12-30.

What is the molecular weight of the compound?

The molecular weight of the compound is 609.7 g/mol.

What is the IUPAC Name of the compound?

The IUPAC Name of the compound is 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid.

What is the InChIKey of the compound?

The InChIKey of the compound is JAHDJVRHKPYPNY-UHFFFAOYSA-N.

How many hydrogen bond donor counts does the compound have?

The compound has 3 hydrogen bond donor counts.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 4.8.

How many rotatable bond counts does the compound have?

The compound has 13 rotatable bond counts.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 144 Å².

Is the compound canonicalized?

Yes, the compound is canonicalized.