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116173-29-6 | L-Alanine, N-[N-[N-[N-(N-L-seryl-L-isoleucyl)-L-threonyl]-L-valyl]-L-seryl]- (9CI)
CAS No: 116173-29-6 Catalog No: AG000BSQ MDL No:
Product Description
Catalog Number:
AG000BSQ
Chemical Name:
L-Alanine, N-[N-[N-[N-(N-L-seryl-L-isoleucyl)-L-threonyl]-L-valyl]-L-seryl]- (9CI)
CAS Number:
116173-29-6
Molecular Formula:
C24H44N6O10
Molecular Weight:
576.6404
IUPAC Name:
2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]propanoic acid
InChI:
InChI=1S/C24H44N6O10/c1-7-11(4)17(29-19(34)14(25)8-31)22(37)30-18(13(6)33)23(38)28-16(10(2)3)21(36)27-15(9-32)20(35)26-12(5)24(39)40/h10-18,31-33H,7-9,25H2,1-6H3,(H,26,35)(H,27,36)(H,28,38)(H,29,34)(H,30,37)(H,39,40)
InChI Key:
DOOFJBVQMAFTSQ-UHFFFAOYSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)CO)C(C)C)[C@H](O)C)NC(=O)[C@H](CO)N)C
Properties
Complexity:
901
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
576.312g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
10
Isotope Atom Count:
0
Molecular Weight:
576.648g/mol
Monoisotopic Mass:
576.312g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
270A^2
Undefined Atom Stereocenter Count:
8
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.4
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