CYSTATIN C, N-TERMINAL TETRAPEPTIDE

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Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key WUUNPBLZLWVARQ-QAETUUGQSA-N
Smiles NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
InChI
InChI=1S/C22H40N8O5/c23-10-2-1-6-14(18(31)29-16(21(34)35)8-4-12-27-22(24)25)28-19(32)17-9-5-13-30(17)20(33)15-7-3-11-26-15/h14-17,26H,1-13,23H2,(H,28,32)(H,29,31)(H,34,35)(H4,24,25,27)/t14-,15-,16-,17-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H40N8O5
Molecular Weight 496.31
AlogP -0.14
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 8.0
Number of Rotational Bond 14.0
Polar Surface Area 222.74
Heavy Atoms 35.0

Cross References

Resources Reference
CAS NUMBER 103745-46-6
NORMAN SUSDAT
CONTENTS