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798540-21-3 | L-Proline, L-arginyl-L-seryl-L-alanyl-
CAS No: 798540-21-3 Catalog No: AG005GQB MDL No:
Product Description
Catalog Number:
AG005GQB
Chemical Name:
L-Proline, L-arginyl-L-seryl-L-alanyl-
CAS Number:
798540-21-3
Molecular Formula:
C17H31N7O6
Molecular Weight:
429.4713
IUPAC Name:
(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C17H31N7O6/c1-9(15(28)24-7-3-5-12(24)16(29)30)22-14(27)11(8-25)23-13(26)10(18)4-2-6-21-17(19)20/h9-12,25H,2-8,18H2,1H3,(H,22,27)(H,23,26)(H,29,30)(H4,19,20,21)/t9-,10-,11-,12-/m0/s1
InChI Key:
XFLTYGWZNMCUGQ-BJDJZHNGSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C)NC(=O)[C@H](CCCNC(=N)N)N
Properties
Complexity:
667
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
429.234g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
429.478g/mol
Monoisotopic Mass:
429.234g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
227A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-7.4
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