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850544-79-5 | L-Serine, L-valyl-L-alanyl-L-valyl-L-lysyl-L-isoleucyl-
CAS No: 850544-79-5 Catalog No: AG004SIL MDL No:
Product Description
Catalog Number:
AG004SIL
Chemical Name:
L-Serine, L-valyl-L-alanyl-L-valyl-L-lysyl-L-isoleucyl-
CAS Number:
850544-79-5
Molecular Formula:
C28H53N7O8
Molecular Weight:
615.7625
IUPAC Name:
(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoic acid
InChI:
InChI=1S/C28H53N7O8/c1-8-16(6)22(27(41)33-19(13-36)28(42)43)35-24(38)18(11-9-10-12-29)32-26(40)21(15(4)5)34-23(37)17(7)31-25(39)20(30)14(2)3/h14-22,36H,8-13,29-30H2,1-7H3,(H,31,39)(H,32,40)(H,33,41)(H,34,37)(H,35,38)(H,42,43)/t16-,17-,18-,19-,20-,21-,22-/m0/s1
InChI Key:
HPCPUSZUGZLFGS-CPDXTSBQSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)[C@H](CC)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)N)C
Properties
Complexity:
946
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
615.396g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
9
Isotope Atom Count:
0
Molecular Weight:
615.773g/mol
Monoisotopic Mass:
615.396g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
255A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
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