L-Tyrosinamide,l-tyrosyl-D-alanyl-L-phenylalanyl-D-alanyl-(9ci)

CAS

98815-38-4

Catalog Number

ACM98815384

Category

Other Products

Molecular Weight

632.7067

Molecular Formula

C₃₃H₄₀N₆O₇

MSDS COA Spec Sheet

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Specification

Synonyms

[D-ALA2,4, TYR5]-BETA-CASOMORPHIN (1-5) AMIDE;(D-ALA2,4,TYR5)-BETA-CASOMORPHIN (1-5) AMIDE ACETATE;[DALA2,4,TYR5] BETA-CASOMORPHIN (1-5), AMIDE, BOVINE;H-TYR-D-ALA-PHE-D-ALA-TYR-NH2 ACOH;TYR-D-ALA-PHE-D-ALA-TYR-NH2;Casokefamide;beta casomorphin 4027;[D-A

IUPAC Name

(2S)-2-amino-N-[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide

Canonical SMILES

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)N)NC(=O)C(CC3=CC=C(C=C3)O)N

InChI Key

XDRHVZLDLNGKLM-FLVVDCEDSA-N

Boiling Point

1108.9ºC at 760 mmHg

Flash Point

624.4ºC

Density

1.304 g/cm³

Exact Mass

632.29600

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of L-Tyrosinamide?

The molecular formula of L-Tyrosinamide is C33H40N6O7.

When was L-Tyrosinamide created?

L-Tyrosinamide was created on August 8, 2005.

What is the computed IUPAC name of L-Tyrosinamide?

The computed IUPAC name of L-Tyrosinamide is (2S)-2-amino-N-[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide.

What is the InChI of L-Tyrosinamide?

The InChI of L-Tyrosinamide is InChI=1S/C33H40N6O7/c1-19(36-32(45)26(34)16-22-8-12-24(40)13-9-22)31(44)39-28(18-21-6-4-3-5-7-21)33(46)37-20(2)30(43)38-27(29(35)42)17-23-10-14-25(41)15-11-23/h3-15,19-20,26-28,40-41H,16-18,34H2,1-2H3,(H2,35,42)(H,36,45)(H,37,46)(H,38,43)(H,39,44)/t19-,20-,26+,27+,28+/m1/s1.

What is the InChIKey of L-Tyrosinamide?

The InChIKey of L-Tyrosinamide is XDRHVZLDLNGKLM-FLVVDCEDSA-N.

What is the canonical SMILES of L-Tyrosinamide?

The canonical SMILES of L-Tyrosinamide is CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)N)NC(=O)C(CC3=CC=C(C=C3)O)N.

What is the molecular weight of L-Tyrosinamide?

The molecular weight of L-Tyrosinamide is 632.7 g/mol.

What is the XLogP3 value of L-Tyrosinamide?

The XLogP3 value of L-Tyrosinamide is 0.7.

How many hydrogen bond donor counts does L-Tyrosinamide have?

L-Tyrosinamide has 8 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does L-Tyrosinamide have?

L-Tyrosinamide has 8 hydrogen bond acceptor counts.