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114175-67-6 | L-Serine, N-[N-[N-[N-(1-L-glutaminyl-L-prolyl)-L-alanyl]-L-seryl]glycyl]- (9CI)
CAS No: 114175-67-6 Catalog No: AG000AQN MDL No:
Product Description
Catalog Number:
AG000AQN
Chemical Name:
L-Serine, N-[N-[N-[N-(1-L-glutaminyl-L-prolyl)-L-alanyl]-L-seryl]glycyl]- (9CI)
CAS Number:
114175-67-6
Molecular Formula:
C21H35N7O10
Molecular Weight:
545.5435
IUPAC Name:
2-[[2-[[2-[2-[[1-(2,5-diamino-5-oxopentanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-hydroxypropanoic acid
InChI:
InChI=1S/C21H35N7O10/c1-10(25-19(35)14-3-2-6-28(14)20(36)11(22)4-5-15(23)31)17(33)27-12(8-29)18(34)24-7-16(32)26-13(9-30)21(37)38/h10-14,29-30H,2-9,22H2,1H3,(H2,23,31)(H,24,34)(H,25,35)(H,26,32)(H,27,33)(H,37,38)
InChI Key:
IWHPMVPDNKHKGM-UHFFFAOYSA-N
SMILES:
OC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)O)CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)N)N)C
Properties
Complexity:
915
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
545.245g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
9
Isotope Atom Count:
0
Molecular Weight:
545.55g/mol
Monoisotopic Mass:
545.245g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
284A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
-7.6
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