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131418-49-0 | L-Serine, L-arginyl-L-arginyl-L-alanyl-
CAS No: 131418-49-0 Catalog No: AG000W53 MDL No:
Product Description
Catalog Number:
AG000W53
Chemical Name:
L-Serine, L-arginyl-L-arginyl-L-alanyl-
CAS Number:
131418-49-0
Molecular Formula:
C18H36N10O6
Molecular Weight:
488.5418
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-3-hydroxypropanoic acid
InChI:
InChI=1S/C18H36N10O6/c1-9(13(30)28-12(8-29)16(33)34)26-15(32)11(5-3-7-25-18(22)23)27-14(31)10(19)4-2-6-24-17(20)21/h9-12,29H,2-8,19H2,1H3,(H,26,32)(H,27,31)(H,28,30)(H,33,34)(H4,20,21,24)(H4,22,23,25)/t9-,10-,11-,12-/m0/s1
InChI Key:
BCZWJAQPFHWYMR-BJDJZHNGSA-N
SMILES:
OC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)CCCNC(=N)N)C
Properties
Complexity:
752
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
488.282g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
10
Isotope Atom Count:
0
Molecular Weight:
488.55g/mol
Monoisotopic Mass:
488.282g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
300A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-7.2
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