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798540-62-2 | L-Serine, L-prolyl-L-alanyl-L-lysyl-
CAS No: 798540-62-2 Catalog No: AG005GQ4 MDL No:
Product Description
Catalog Number:
AG005GQ4
Chemical Name:
L-Serine, L-prolyl-L-alanyl-L-lysyl-
CAS Number:
798540-62-2
Molecular Formula:
C17H31N5O6
Molecular Weight:
401.4579
IUPAC Name:
(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]hexanoyl]amino]-3-hydroxypropanoic acid
InChI:
InChI=1S/C17H31N5O6/c1-10(20-15(25)11-6-4-8-19-11)14(24)21-12(5-2-3-7-18)16(26)22-13(9-23)17(27)28/h10-13,19,23H,2-9,18H2,1H3,(H,20,25)(H,21,24)(H,22,26)(H,27,28)/t10-,11-,12-,13-/m0/s1
InChI Key:
MZTGBTLZHKSAMQ-CYDGBPFRSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)O)CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)C
Properties
Complexity:
558
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
401.227g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
401.464g/mol
Monoisotopic Mass:
401.227g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
183A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-6.3
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