200,000+ products from a single source!
sales@angenechem.com
180179-66-2 | L-Valine, N-(3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)-, compd. with morpholine (1:1) (9CI)
CAS No: 180179-66-2 Catalog No: AG0021R5 MDL No:
Product Description
Catalog Number:
AG0021R5
Chemical Name:
L-Valine, N-(3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)-, compd. with morpholine (1:1) (9CI)
CAS Number:
180179-66-2
Molecular Formula:
C19H23ClN2O5
Molecular Weight:
394.8493
IUPAC Name:
(2S)-2-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]-3-methylbutanoic acid;morpholine
InChI:
InChI=1S/C15H14ClNO4.C4H9NO/c1-7(2)11(15(20)21)17-12-10(16)13(18)8-5-3-4-6-9(8)14(12)19;1-3-6-4-2-5-1/h3-7,11,17H,1-2H3,(H,20,21);5H,1-4H2/t11-;/m0./s1
InChI Key:
GUMZDOISFUFSNI-MERQFXBCSA-N
SMILES:
C1CNCCO1.CC([C@@H](C(=O)O)NC1=C(Cl)C(=O)c2c(C1=O)cccc2)C
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
394.13g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
394.852g/mol
Monoisotopic Mass:
394.13g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.