200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 145079-49-8
145079-49-8 | L-Alanine, N-[N-[N-(N-L-alanyl-L-threonyl)-O-phosphono-L-tyrosyl]-L-seryl]- (9CI)
CAS No: 145079-49-8 Catalog No: AG001KJH MDL No:
Product Description
Catalog Number:
AG001KJH
Chemical Name:
L-Alanine, N-[N-[N-(N-L-alanyl-L-threonyl)-O-phosphono-L-tyrosyl]-L-seryl]- (9CI)
CAS Number:
145079-49-8
Molecular Formula:
C22H34N5O12P
Molecular Weight:
591.5054
IUPAC Name:
2-[[2-[[2-[[2-(2-aminopropanoylamino)-3-hydroxybutanoyl]-phosphonoamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]propanoic acid
InChI:
InChI=1S/C22H34N5O12P/c1-10(23)18(31)26-17(12(3)29)21(34)27(40(37,38)39)16(8-13-4-6-14(30)7-5-13)20(33)25-15(9-28)19(32)24-11(2)22(35)36/h4-7,10-12,15-17,28-30H,8-9,23H2,1-3H3,(H,24,32)(H,25,33)(H,26,31)(H,35,36)(H2,37,38,39)
InChI Key:
DXMKDARTVOTRGF-UHFFFAOYSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](N)C)Cc1ccc(cc1)OP(=O)(O)O
Properties
Complexity:
970
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
591.194g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
10
Isotope Atom Count:
0
Molecular Weight:
591.511g/mol
Monoisotopic Mass:
591.194g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
289A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.