Name: Name:Z-Val-dl-asp-fluoromethylketone
Brand: Angene
SKU: AG00BGLA
Rating: 90 (10 reviews)

Catalog Number:

AG00BGLA

Chemical Name:

Z-Val-dl-asp-fluoromethylketone

CAS Number:

223568-55-6

Molecular Formula:

C18H23FN2O6

Molecular Weight:

382.3834

MDL Number:

MFCD08457673

IUPAC Name:

(3S)-5-fluoro-3-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-oxopentanoic acid

InChI:

InChI=1S/C18H23FN2O6/c1-11(2)16(17(25)20-13(8-15(23)24)14(22)9-19)21-18(26)27-10-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,20,25)(H,21,26)(H,23,24)/t13-,16-/m0/s1

InChI Key:

LYBWGROBJJXCJJ-BBRMVZONSA-N

SMILES:

FCC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)OCc1ccccc1

Complexity:

534

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

382.154g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

382.388g/mol

Monoisotopic Mass:

382.154g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

122A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

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