Boc-N-me-tyr-oh.dcha

CAS

95105-25-2

Catalog Number

ACM95105252

Category

Other Products

Molecular Weight

295.33

Molecular Formula

C₁₅H₂₁NO₅

MSDS COA Spec Sheet

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Specification

Synonyms

N-ALPHA-(T-BUTYLOXYCARBONYL)-N-ALPHA-METHYL-L-TYROSINE DICYCLOHEXYLAMINE;N-ALPHA-T-BUTOXYCARBONYL-N-ALPHA-METHYL-L-TYROSINE DICYCLOHEXYLAMMONIUM SALT;BOC-N-ME-TYR DCHA;BOC-N-ME-TYR-OH;BOC-N-ME-TYR-OH DCHA;BOC-N-ME-TYROSINE DCHA;BOC-N-METHYL-L-TYROSINE DI

IUPAC Name

N-cyclohexylcyclohexanamine;3-(4-hydroxyphenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid

Canonical SMILES

CC(C)(C)OC(=O)N(C)C(CC1=CC=C(C=C1)O)C(=O)O.C1CCC(CC1)NC2CCCCC2

InChI Key

DVADYPVUIPQNGV-UHFFFAOYSA-N

Boiling Point

626.2ºC at 760 mmHg

Flash Point

332.5ºC

Exact Mass

476.32500

Hazard Statements

H-Bond Acceptor

H-Bond Donor

Packing Group

III

Safety Description

S22:Do not breathe dust .
S36/37:Wear suitable protective clothing and gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .

WGK Germany

What is the molecular formula of boc-n-me-tyr-oh.dcha?

The molecular formula of boc-n-me-tyr-oh.dcha is C27H44N2O5.

What is the molecular weight of boc-n-me-tyr-oh.dcha?

The molecular weight of boc-n-me-tyr-oh.dcha is 476.6 g/mol.

What is the IUPAC name of boc-n-me-tyr-oh.dcha?

The IUPAC name of boc-n-me-tyr-oh.dcha is N-cyclohexylcyclohexanamine;(2S)-3-(4-hydroxyphenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid.

What is the InChI of boc-n-me-tyr-oh.dcha?

The InChI of boc-n-me-tyr-oh.dcha is InChI=1S/C15H21NO5.C12H23N/c1-15(2,3)21-14(20)16(4)12(13(18)19)9-10-5-7-11(17)8-6-10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-8,12,17H,9H2,1-4H3,(H,18,19);11-13H,1-10H2/t12-;/m0./s1.

What is the InChIKey of boc-n-me-tyr-oh.dcha?

The InChIKey of boc-n-me-tyr-oh.dcha is DVADYPVUIPQNGV-YDALLXLXSA-N.

What is the canonical SMILES of boc-n-me-tyr-oh.dcha?

The canonical SMILES of boc-n-me-tyr-oh.dcha is CC(C)(C)OC(=O)N(C)C(CC1=CC=C(C=C1)O)C(=O)O.C1CCC(CC1)NC2CCCCC2.

What is the isomeric SMILES of boc-n-me-tyr-oh.dcha?

The isomeric SMILES of boc-n-me-tyr-oh.dcha is CC(C)(C)OC(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)O.C1CCC(CC1)NC2CCCCC2.

What is the hydrogen bond donor count of boc-n-me-tyr-oh.dcha?

The hydrogen bond donor count of boc-n-me-tyr-oh.dcha is 3.

What is the hydrogen bond acceptor count of boc-n-me-tyr-oh.dcha?

The hydrogen bond acceptor count of boc-n-me-tyr-oh.dcha is 6.

What is the rotatable bond count of boc-n-me-tyr-oh.dcha?

The rotatable bond count of boc-n-me-tyr-oh.dcha is 8.