CAS 71487-43-9 | L-Valine,N-[N-[N-[N-(N2-L-tyrosyl-L-asparaginyl)-L-leucyl]-L-threonyl]-L-seryl]- (9CI) | CAS Number 71487-43-9

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71487-43-9 | L-Valine,N-[N-[N-[N-(N2-L-tyrosyl-L-asparaginyl)-L-leucyl]-L-threonyl]-L-seryl]- (9CI)

CAS No: 71487-43-9 Catalog No: AG005HPL MDL No:

Product Description

Catalog Number:

AG005HPL

Chemical Name:

L-Valine,N-[N-[N-[N-(N2-L-tyrosyl-L-asparaginyl)-L-leucyl]-L-threonyl]-L-seryl]- (9CI)

CAS Number:

71487-43-9

Molecular Formula:

C31H49N7O11

Molecular Weight:

695.7611

IUPAC Name:

(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoic acid

InChI:

InChI=1S/C31H49N7O11/c1-14(2)10-20(35-27(44)21(12-23(33)42)34-26(43)19(32)11-17-6-8-18(41)9-7-17)28(45)38-25(16(5)40)30(47)36-22(13-39)29(46)37-24(15(3)4)31(48)49/h6-9,14-16,19-22,24-25,39-41H,10-13,32H2,1-5H3,(H2,33,42)(H,34,43)(H,35,44)(H,36,47)(H,37,46)(H,38,45)(H,48,49)/t16-,19+,20+,21+,22+,24+,25+/m1/s1

InChI Key:

XALFCHBBUSVMCF-WZLZMYGESA-N

SMILES:

OC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)CC(=O)N)CC(C)C

Properties

Complexity:

1160

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

695.349g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

695.771g/mol

Monoisotopic Mass:

695.349g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

313A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-5.4

Literature

Title	Journal
The yeast WBP1 is essential for oligosaccharyl transferase activity in vivo and in vitro.	The EMBO journal 19920601
N-Glycosylation of yeast proteins. Characterization of the solubilized oligosaccharyl transferase.	European journal of biochemistry 19810501