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189827-01-8 | L-Lysine, L-lysyl-L-phenylalanyl-O-phosphono-L-threonyl-L-prolyl- (9CI)
CAS No: 189827-01-8 Catalog No: AG002E11 MDL No:
Product Description
Catalog Number:
AG002E11
Chemical Name:
L-Lysine, L-lysyl-L-phenylalanyl-O-phosphono-L-threonyl-L-prolyl- (9CI)
CAS Number:
189827-01-8
Molecular Formula:
C30H50N7O10P
Molecular Weight:
699.7327
IUPAC Name:
(2S)-6-amino-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-phenylpropanoyl]amino]-3-phosphonooxybutanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid
InChI:
InChI=1S/C30H50N7O10P/c1-19(47-48(44,45)46)25(29(41)37-17-9-14-24(37)28(40)34-22(30(42)43)13-6-8-16-32)36-27(39)23(18-20-10-3-2-4-11-20)35-26(38)21(33)12-5-7-15-31/h2-4,10-11,19,21-25H,5-9,12-18,31-33H2,1H3,(H,34,40)(H,35,38)(H,36,39)(H,42,43)(H2,44,45,46)/t19-,21+,22+,23+,24+,25+/m1/s1
InChI Key:
ZWFVVZTVAQKACW-GFGQVAFXSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CCCCN)[C@H](OP(=O)(O)O)C)Cc1ccccc1)N
Properties
Complexity:
1120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
699.336g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
9
Isotope Atom Count:
0
Molecular Weight:
699.743g/mol
Monoisotopic Mass:
699.336g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
290A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-6.6
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